tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine

C99H112Cl14N26O11 — CID 158810079

IUPACtert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine
SMILESC.C.C.CC(C)(C)OC(=O)Nc1ccccc1N.CC(C)(C)OC(=O)Nc1ccccc1Nc1nc(Cl)ncc1Cl.ClCl.Clc1ncc(Cl)c(Cl)n1.Nc1ccc(N2CCOCC2)cc1.Nc1ccccc1Nc1nc(Cl)ncc1Cl.O=C(Cl)C1CC1.O=C(Nc1ccccc1Nc1nc(Cl)ncc1Cl)C1CC1.O=C(Nc1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl)C1CC1.O=c1[nH]cc(Cl)c(=O)[nH]1
InChIInChI=1S/C24H25ClN6O2.C15H16Cl2N4O2.C14H12Cl2N4O.C11H16N2O2.C10H8Cl2N4.C10H14N2O.C4HCl3N2.C4H3ClN2O2.C4H5ClO.3CH4.Cl2/c25-19-15-26-24(27-17-7-9-18(10-8-17)31-11-13-33-14-12-31)30-22(19)28-20-3-1-2-4-21(20)29-23(32)16-5-6-16;1-15(2,3)23-14(22)20-11-7-5-4-6-10(11)19-12-9(16)8-18-13(17)21-12;15-9-7-17-14(16)20-12(9)18-10-3-1-2-4-11(10)19-13(21)8-5-6-8;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;11-6-5-14-10(12)16-9(6)15-8-4-2-1-3-7(8)13;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;5-2-1-8-4(7)9-3(2)6;5-2-1-6-4(9)7-3(2)8;5-4(6)3-1-2-3;;;;1-2/h1-4,7-10,15-16H,5-6,11-14H2,(H,29,32)(H2,26,27,28,30);4-8H,1-3H3,(H,20,22)(H,18,19,21);1-4,7-8H,5-6H2,(H,19,21)(H,17,18,20);4-7H,12H2,1-3H3,(H,13,14);1-5H,13H2,(H,14,15,16);1-4H,5-8,11H2;1H;1H,(H2,6,7,8,9);3H,1-2H2;3*1H4;
InChIKeyIUOLRYRZNHALNP-UHFFFAOYSA-N
MW2338.50 g/mol
LogP26.98
Rot. Bonds19

About tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine

tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine (PubChem CID 158810079) has the molecular formula C99H112Cl14N26O11 and a molecular weight of 2338.50 g/mol. Its IUPAC name is tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine.

Molecular Properties

Compound Nametert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine
PubChem CID158810079
Molecular FormulaC99H112Cl14N26O11
Molecular Weight2338.50 g/mol
Exact Mass2330.46
IUPAC Nametert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine
SMILESC.C.C.CC(C)(C)OC(=O)Nc1ccccc1N.CC(C)(C)OC(=O)Nc1ccccc1Nc1nc(Cl)ncc1Cl.ClCl.Clc1ncc(Cl)c(Cl)n1.Nc1ccc(N2CCOCC2)cc1.Nc1ccccc1Nc1nc(Cl)ncc1Cl.O=C(Cl)C1CC1.O=C(Nc1ccccc1Nc1nc(Cl)ncc1Cl)C1CC1.O=C(Nc1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl)C1CC1.O=c1[nH]cc(Cl)c(=O)[nH]1
InChIInChI=1S/C24H25ClN6O2.C15H16Cl2N4O2.C14H12Cl2N4O.C11H16N2O2.C10H8Cl2N4.C10H14N2O.C4HCl3N2.C4H3ClN2O2.C4H5ClO.3CH4.Cl2/c25-19-15-26-24(27-17-7-9-18(10-8-17)31-11-13-33-14-12-31)30-22(19)28-20-3-1-2-4-21(20)29-23(32)16-5-6-16;1-15(2,3)23-14(22)20-11-7-5-4-6-10(11)19-12-9(16)8-18-13(17)21-12;15-9-7-17-14(16)20-12(9)18-10-3-1-2-4-11(10)19-13(21)8-5-6-8;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;11-6-5-14-10(12)16-9(6)15-8-4-2-1-3-7(8)13;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;5-2-1-8-4(7)9-3(2)6;5-2-1-6-4(9)7-3(2)8;5-4(6)3-1-2-3;;;;1-2/h1-4,7-10,15-16H,5-6,11-14H2,(H,29,32)(H2,26,27,28,30);4-8H,1-3H3,(H,20,22)(H,18,19,21);1-4,7-8H,5-6H2,(H,19,21)(H,17,18,20);4-7H,12H2,1-3H3,(H,13,14);1-5H,13H2,(H,14,15,16);1-4H,5-8,11H2;1H;1H,(H2,6,7,8,9);3H,1-2H2;3*1H4;
InChIKeyIUOLRYRZNHALNP-UHFFFAOYSA-N
XLogP26.98
TPSA509.70 Ų
H-Bond Donors14
H-Bond Acceptors31
Rotatable Bonds19
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002338.50
LogP ≤ 526.98
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine with MolForge

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Related Compounds

N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 24997391
1-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]-3-cyclohexylurea
CID 59363109
4-[[5-chloro-4-[2-(cyclopropanecarbonylamino)anilino]pyrimidin-2-yl]amino]-N-methylbenzamide
CID 24997694
N-[2-[[2-(4-aminoanilino)-5-iodopyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 89059562
N-[2-[[5-iodo-2-[4-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 70880348
4-aminobenzoic acid;4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]benzoic acid;2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 159656701
2-[[5-chloro-2-(3-fluoro-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-methoxybenzamide
CID 172553198
3-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]thiophene-2-carboxylic acid
CID 175696484
tert-butyl N-[1-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]carbamate
CID 86675723
2-[[5-chloro-2-(3-fluoro-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzamide
CID 90667141
2-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-(4-methylanilino)pyrimidine-5-carboxamide;tert-butyl 2-[(3R,4R)-4-[[5-carbamoyl-4-(4-methylanilino)pyrimidin-2-yl]amino]oxan-3-yl]acetate;2-chloro-4-(4-methylanilino)pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carbonyl chloride;2,4-dichloropyrimidine-5-carboxamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid
CID 158793756
tert-butyl N-[3-[[5-chloro-2-(2-methoxy-4-morpholin-4-yl-5-nitroanilino)pyrimidin-4-yl]amino]-4-methylsulfonylphenyl]carbamate
CID 163289053

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine?
The IUPAC name of tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine (CID 158810079) is tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine.
What is the SMILES notation for tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine?
The canonical SMILES for tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine is C.C.C.CC(C)(C)OC(=O)Nc1ccccc1N.CC(C)(C)OC(=O)Nc1ccccc1Nc1nc(Cl)ncc1Cl.ClCl.Clc1ncc(Cl)c(Cl)n1.Nc1ccc(N2CCOCC2)cc1.Nc1ccccc1Nc1nc(Cl)ncc1Cl.O=C(Cl)C1CC1.O=C(Nc1ccccc1Nc1nc(Cl)ncc1Cl)C1CC1.O=C(Nc1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl)C1CC1.O=c1[nH]cc(Cl)c(=O)[nH]1.
What is the InChIKey of tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine?
The InChIKey is IUOLRYRZNHALNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2.C15H16Cl2N4O2.C14H12Cl2N4O.C11H16N2O2.C10H8Cl2N4.C10H14N2O.C4HCl3N2.C4H3ClN2O2.C4H5ClO.3CH4.Cl2/c25-19-15-26-24(27-17-7-9-18(10-8-17)31-11-13-33-14-12-31)30-22(19)28-20-3-1-2-4-21(20)29-23(32)16-5-6-16;1-15(2,3)23-14(22)20-11-7-5-4-6-10(11)19-12-9(16)8-18-13(17)21-12;15-9-7-17-14(16)20-12(9)18-10-3-1-2-4-11(10)19-13(21)8-5-6-8;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;11-6-5-14-10(12)16-9(6)15-8-4-2-1-3-7(8)13;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;5-2-1-8-4(7)9-3(2)6;5-2-1-6-4(9)7-3(2)8;5-4(6)3-1-2-3;;;;1-2/h1-4,7-10,15-16H,5-6,11-14H2,(H,29,32)(H2,26,27,28,30);4-8H,1-3H3,(H,20,22)(H,18,19,21);1-4,7-8H,5-6H2,(H,19,21)(H,17,18,20);4-7H,12H2,1-3H3,(H,13,14);1-5H,13H2,(H,14,15,16);1-4H,5-8,11H2;1H;1H,(H2,6,7,8,9);3H,1-2H2;3*1H4;.
What are the key properties of tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine?
tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine has a molecular weight of 2338.50 g/mol, XLogP of 26.98, 19 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]carbamate;N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide;5-chloro-1H-pyrimidine-2,4-dione;cyclopropanecarbonyl chloride;N-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide;2-N-(2,5-dichloropyrimidin-4-yl)benzene-1,2-diamine;methane;molecular chlorine;4-morpholin-4-ylaniline;2,4,5-trichloropyrimidine is sourced from PubChem (CID 158810079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).