dichloromethane;2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide;oxalyl dichloride;2-pyridin-3-ylacetic acid;3-pyridin-3-ylpropanoic acid

C69H60Cl4N16O11S3 — CID 157193241

IUPACdichloromethane;2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide;oxalyl dichloride;2-pyridin-3-ylacetic acid;3-pyridin-3-ylpropanoic acid
SMILESCc1ccc(-c2nc(N)cc(-c3nccs3)n2)o1.Cc1ccc(-c2nc(NC(=O)CCc3cccnc3)cc(-c3nccs3)n2)o1.Cc1ccc(-c2nc(NC(=O)Cc3cccnc3)cc(-c3nccs3)n2)o1.ClCCl.O=C(Cl)C(=O)Cl.O=C(O)CCc1cccnc1.O=C(O)Cc1cccnc1
InChIInChI=1S/C20H17N5O2S.C19H15N5O2S.C12H10N4OS.C8H9NO2.C7H7NO2.C2Cl2O2.CH2Cl2/c1-13-4-6-16(27-13)19-23-15(20-22-9-10-28-20)11-17(25-19)24-18(26)7-5-14-3-2-8-21-12-14;1-12-4-5-15(26-12)18-22-14(19-21-7-8-27-19)10-16(24-18)23-17(25)9-13-3-2-6-20-11-13;1-7-2-3-9(17-7)11-15-8(6-10(13)16-11)12-14-4-5-18-12;10-8(11)4-3-7-2-1-5-9-6-7;9-7(10)4-6-2-1-3-8-5-6;3-1(5)2(4)6;2-1-3/h2-4,6,8-12H,5,7H2,1H3,(H,23,24,25,26);2-8,10-11H,9H2,1H3,(H,22,23,24,25);2-6H,1H3,(H2,13,15,16);1-2,5-6H,3-4H2,(H,10,11);1-3,5H,4H2,(H,9,10);;1H2
InChIKeyAPYDZTFLSDUKAB-UHFFFAOYSA-N
MW1527.35 g/mol
LogP14.38
Rot. Bonds19

About dichloromethane;2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide;oxalyl dichloride;2-pyridin-3-ylacetic acid;3-pyridin-3-ylpropanoic acid

dichloromethane;2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide;oxalyl dichloride;2-pyridin-3-ylacetic acid;3-pyridin-3-ylpropanoic acid (PubChem CID 157193241) has the molecular formula C69H60Cl4N16O11S3 and a molecular weight of 1527.35 g/mol. Its IUPAC name is dichloromethane;2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide;oxalyl dichloride;2-pyridin-3-ylacetic acid;3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Namedichloromethane;2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide;oxalyl dichloride;2-pyridin-3-ylacetic acid;3-pyridin-3-ylpropanoic acid
PubChem CID157193241
Molecular FormulaC69H60Cl4N16O11S3
Molecular Weight1527.35 g/mol
Exact Mass1524.25
IUPAC Namedichloromethane;2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide;oxalyl dichloride;2-pyridin-3-ylacetic acid;3-pyridin-3-ylpropanoic acid
SMILESCc1ccc(-c2nc(N)cc(-c3nccs3)n2)o1.Cc1ccc(-c2nc(NC(=O)CCc3cccnc3)cc(-c3nccs3)n2)o1.Cc1ccc(-c2nc(NC(=O)Cc3cccnc3)cc(-c3nccs3)n2)o1.ClCCl.O=C(Cl)C(=O)Cl.O=C(O)CCc1cccnc1.O=C(O)Cc1cccnc1
InChIInChI=1S/C20H17N5O2S.C19H15N5O2S.C12H10N4OS.C8H9NO2.C7H7NO2.C2Cl2O2.CH2Cl2/c1-13-4-6-16(27-13)19-23-15(20-22-9-10-28-20)11-17(25-19)24-18(26)7-5-14-3-2-8-21-12-14;1-12-4-5-15(26-12)18-22-14(19-21-7-8-27-19)10-16(24-18)23-17(25)9-13-3-2-6-20-11-13;1-7-2-3-9(17-7)11-15-8(6-10(13)16-11)12-14-4-5-18-12;10-8(11)4-3-7-2-1-5-9-6-7;9-7(10)4-6-2-1-3-8-5-6;3-1(5)2(4)6;2-1-3/h2-4,6,8-12H,5,7H2,1H3,(H,23,24,25,26);2-8,10-11H,9H2,1H3,(H,22,23,24,25);2-6H,1H3,(H2,13,15,16);1-2,5-6H,3-4H2,(H,10,11);1-3,5H,4H2,(H,9,10);;1H2
InChIKeyAPYDZTFLSDUKAB-UHFFFAOYSA-N
XLogP14.38
TPSA399.95 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001527.35
LogP ≤ 514.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze dichloromethane;2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide;oxalyl dichloride;2-pyridin-3-ylacetic acid;3-pyridin-3-ylpropanoic acid with MolForge

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Related Compounds

N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(2-methyl-3-oxopiperazin-1-yl)acetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpyrrolidin-1-yl)acetamide
CID 67052222
1-[2-(Furan-2-yl)-1,3-thiazol-4-yl]-3-(6-morpholin-4-yl-3-pyridinyl)propan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-2-one;1-(6-morpholin-4-yl-3-pyridinyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 159756876
[4-Amino-2-(5-cyclopropylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[4-amino-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone;[4-amino-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 160023406
2-chloro-5-fluoro-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[[(2-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]benzoic acid;2-chloro-5-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 160225596
1-[5-[[4-(4-Chlorothiophen-2-yl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[[5-cyano-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;1-[5-[(5-cyano-4-thiophen-3-yl-1,3-thiazol-2-yl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 175396292

Frequently Asked Questions

What is the IUPAC name of dichloromethane;2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide;oxalyl dichloride;2-pyridin-3-ylacetic acid;3-pyridin-3-ylpropanoic acid?
The IUPAC name of dichloromethane;2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide;oxalyl dichloride;2-pyridin-3-ylacetic acid;3-pyridin-3-ylpropanoic acid (CID 157193241) is dichloromethane;2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide;oxalyl dichloride;2-pyridin-3-ylacetic acid;3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for dichloromethane;2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide;oxalyl dichloride;2-pyridin-3-ylacetic acid;3-pyridin-3-ylpropanoic acid?
The canonical SMILES for dichloromethane;2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide;oxalyl dichloride;2-pyridin-3-ylacetic acid;3-pyridin-3-ylpropanoic acid is Cc1ccc(-c2nc(N)cc(-c3nccs3)n2)o1.Cc1ccc(-c2nc(NC(=O)CCc3cccnc3)cc(-c3nccs3)n2)o1.Cc1ccc(-c2nc(NC(=O)Cc3cccnc3)cc(-c3nccs3)n2)o1.ClCCl.O=C(Cl)C(=O)Cl.O=C(O)CCc1cccnc1.O=C(O)Cc1cccnc1.
What is the InChIKey of dichloromethane;2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide;oxalyl dichloride;2-pyridin-3-ylacetic acid;3-pyridin-3-ylpropanoic acid?
The InChIKey is APYDZTFLSDUKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S.C19H15N5O2S.C12H10N4OS.C8H9NO2.C7H7NO2.C2Cl2O2.CH2Cl2/c1-13-4-6-16(27-13)19-23-15(20-22-9-10-28-20)11-17(25-19)24-18(26)7-5-14-3-2-8-21-12-14;1-12-4-5-15(26-12)18-22-14(19-21-7-8-27-19)10-16(24-18)23-17(25)9-13-3-2-6-20-11-13;1-7-2-3-9(17-7)11-15-8(6-10(13)16-11)12-14-4-5-18-12;10-8(11)4-3-7-2-1-5-9-6-7;9-7(10)4-6-2-1-3-8-5-6;3-1(5)2(4)6;2-1-3/h2-4,6,8-12H,5,7H2,1H3,(H,23,24,25,26);2-8,10-11H,9H2,1H3,(H,22,23,24,25);2-6H,1H3,(H2,13,15,16);1-2,5-6H,3-4H2,(H,10,11);1-3,5H,4H2,(H,9,10);;1H2.
What are the key properties of dichloromethane;2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide;oxalyl dichloride;2-pyridin-3-ylacetic acid;3-pyridin-3-ylpropanoic acid?
dichloromethane;2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide;oxalyl dichloride;2-pyridin-3-ylacetic acid;3-pyridin-3-ylpropanoic acid has a molecular weight of 1527.35 g/mol, XLogP of 14.38, 19 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-3-pyridin-3-ylpropanamide;oxalyl dichloride;2-pyridin-3-ylacetic acid;3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 157193241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).