carbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium)

C49H85Cl3N15Y3-3 — CID 159872087

IUPACcarbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium)
SMILESCC.CC.CC.CC.CC.CNc1nc(C)ncc1C.CNc1nc(Cl)ncc1C.CNc1nc(Nc2ccccc2)ncc1C.Cc1cnc(Cl)nc1N.Cc1ncc(C)c(Cl)n1.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/C12H14N4.C7H11N3.C6H8ClN3.C6H7ClN2.C5H6ClN3.5C2H6.3CH3.3Y/c1-9-8-14-12(16-11(9)13-2)15-10-6-4-3-5-7-10;1-5-4-9-6(2)10-7(5)8-3;1-4-3-9-6(7)10-5(4)8-2;1-4-3-8-5(2)9-6(4)7;1-3-2-8-5(6)9-4(3)7;5*1-2;;;;;;/h3-8H,1-2H3,(H2,13,14,15,16);4H,1-3H3,(H,8,9,10);3H,1-2H3,(H,8,9,10);3H,1-2H3;2H,1H3,(H2,7,8,9);5*1-2H3;3*1H3;;;/q;;;;;;;;;;3*-1;;;
InChIKeyKNYFTHQEXDPCEZ-UHFFFAOYSA-N
MW1257.40 g/mol
LogP14.43
Rot. Bonds5

About carbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium)

carbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium) (PubChem CID 159872087) has the molecular formula C49H85Cl3N15Y3-3 and a molecular weight of 1257.40 g/mol. Its IUPAC name is carbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium).

Molecular Properties

Compound Namecarbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium)
PubChem CID159872087
Molecular FormulaC49H85Cl3N15Y3-3
Molecular Weight1257.40 g/mol
Exact Mass1255.34
IUPAC Namecarbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium)
SMILESCC.CC.CC.CC.CC.CNc1nc(C)ncc1C.CNc1nc(Cl)ncc1C.CNc1nc(Nc2ccccc2)ncc1C.Cc1cnc(Cl)nc1N.Cc1ncc(C)c(Cl)n1.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/C12H14N4.C7H11N3.C6H8ClN3.C6H7ClN2.C5H6ClN3.5C2H6.3CH3.3Y/c1-9-8-14-12(16-11(9)13-2)15-10-6-4-3-5-7-10;1-5-4-9-6(2)10-7(5)8-3;1-4-3-9-6(7)10-5(4)8-2;1-4-3-8-5(2)9-6(4)7;1-3-2-8-5(6)9-4(3)7;5*1-2;;;;;;/h3-8H,1-2H3,(H2,13,14,15,16);4H,1-3H3,(H,8,9,10);3H,1-2H3,(H,8,9,10);3H,1-2H3;2H,1H3,(H2,7,8,9);5*1-2H3;3*1H3;;;/q;;;;;;;;;;3*-1;;;
InChIKeyKNYFTHQEXDPCEZ-UHFFFAOYSA-N
XLogP14.43
TPSA203.04 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001257.40
LogP ≤ 514.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 3262159
(1R)-N'-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)-1-phenyl-N-(4-piperazin-1-ylbutyl)ethane-1,2-diamine
CID 68347055
(1R)-N'-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)-1-phenyl-N-(3-piperazin-1-ylpropyl)ethane-1,2-diamine
CID 68347138
5-chloro-6-methyl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 44591392
N-(3-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 142466555
N-(4-chlorophenyl)-2-piperidin-3-yl-6-pyridin-4-ylpyrimidin-4-amine;hydrochloride
CID 172460970
5,6-dichloro-N-phenyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pyrimidin-4-amine chloride
CID 399039
N-(3-chloro-4-fluorophenyl)-2-(4-piperidin-4-ylpiperazin-1-yl)pyrimido[4,5-d]pyrimidin-5-amine
CID 54341751
2-N-(3-chloro-4-fluorophenyl)-4-N-(pyridin-3-ylmethyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine
CID 59353277
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-pyridin-3-ylethyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine
CID 59353620
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-pyridin-4-ylethyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine
CID 59353835
2-N-(3-chloro-4-fluorophenyl)-4-N-(pyridin-4-ylmethyl)-5-pyrimidin-5-ylpyrimidine-2,4-diamine
CID 59354355

Frequently Asked Questions

What is the IUPAC name of carbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium)?
The IUPAC name of carbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium) (CID 159872087) is carbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium).
What is the SMILES notation for carbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium)?
The canonical SMILES for carbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium) is CC.CC.CC.CC.CC.CNc1nc(C)ncc1C.CNc1nc(Cl)ncc1C.CNc1nc(Nc2ccccc2)ncc1C.Cc1cnc(Cl)nc1N.Cc1ncc(C)c(Cl)n1.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].
What is the InChIKey of carbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium)?
The InChIKey is KNYFTHQEXDPCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4.C7H11N3.C6H8ClN3.C6H7ClN2.C5H6ClN3.5C2H6.3CH3.3Y/c1-9-8-14-12(16-11(9)13-2)15-10-6-4-3-5-7-10;1-5-4-9-6(2)10-7(5)8-3;1-4-3-9-6(7)10-5(4)8-2;1-4-3-8-5(2)9-6(4)7;1-3-2-8-5(6)9-4(3)7;5*1-2;;;;;;/h3-8H,1-2H3,(H2,13,14,15,16);4H,1-3H3,(H,8,9,10);3H,1-2H3,(H,8,9,10);3H,1-2H3;2H,1H3,(H2,7,8,9);5*1-2H3;3*1H3;;;/q;;;;;;;;;;3*-1;;;.
What are the key properties of carbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium)?
carbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium) has a molecular weight of 1257.40 g/mol, XLogP of 14.43, 5 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-chloro-N,5-dimethylpyrimidin-4-amine;4-chloro-2,5-dimethylpyrimidine;2-chloro-5-methylpyrimidin-4-amine;4-N,5-dimethyl-2-N-phenylpyrimidine-2,4-diamine;ethane;N,2,5-trimethylpyrimidin-4-amine;tris(yttrium) is sourced from PubChem (CID 159872087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).