4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine

C17H14Cl2N4 — CID 112877931

IUPAC4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(Cl)cc2)cc(Nc2ccccc2Cl)n1
InChIInChI=1S/C17H14Cl2N4/c1-11-20-16(22-13-8-6-12(18)7-9-13)10-17(21-11)23-15-5-3-2-4-14(15)19/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyLUQGJJYNQMTUHY-UHFFFAOYSA-N
MW345.23 g/mol
LogP5.58
Rot. Bonds4

About 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine

4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112877931) has the molecular formula C17H14Cl2N4 and a molecular weight of 345.23 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112877931
Molecular FormulaC17H14Cl2N4
Molecular Weight345.23 g/mol
Exact Mass344.06
IUPAC Name4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(Cl)cc2)cc(Nc2ccccc2Cl)n1
InChIInChI=1S/C17H14Cl2N4/c1-11-20-16(22-13-8-6-12(18)7-9-13)10-17(21-11)23-15-5-3-2-4-14(15)19/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyLUQGJJYNQMTUHY-UHFFFAOYSA-N
XLogP5.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.23
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine
CID 112865740
4-N-(2,3-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876944
2-[[6-(2-chloroanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877966
4-N-(3,4-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876939
6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877862
4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876894
6-N-(4-chlorophenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878057
4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877814
N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868891
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878027
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876874

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine (CID 112877931) is 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine is Cc1nc(Nc2ccc(Cl)cc2)cc(Nc2ccccc2Cl)n1.
What is the InChIKey of 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is LUQGJJYNQMTUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4/c1-11-20-16(22-13-8-6-12(18)7-9-13)10-17(21-11)23-15-5-3-2-4-14(15)19/h2-10H,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine?
4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 345.23 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112877931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).