4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine

C19H18Cl2N4O — CID 112872728

IUPAC4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(NCc3ccc(Cl)cc3)nc(C)n2)cc1Cl
InChIInChI=1S/C19H18Cl2N4O/c1-12-23-18(22-11-13-3-5-14(20)6-4-13)10-19(24-12)25-15-7-8-17(26-2)16(21)9-15/h3-10H,11H2,1-2H3,(H2,22,23,24,25)
InChIKeyCKSLDQZEGMIQIA-UHFFFAOYSA-N
MW389.29 g/mol
LogP5.46
Rot. Bonds6

About 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine

4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 112872728) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
PubChem CID112872728
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(NCc3ccc(Cl)cc3)nc(C)n2)cc1Cl
InChIInChI=1S/C19H18Cl2N4O/c1-12-23-18(22-11-13-3-5-14(20)6-4-13)10-19(24-12)25-15-7-8-17(26-2)16(21)9-15/h3-10H,11H2,1-2H3,(H2,22,23,24,25)
InChIKeyCKSLDQZEGMIQIA-UHFFFAOYSA-N
XLogP5.46
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.29
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-chloro-4-methoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872842
4-N-(3-chloro-4-methoxyphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868147
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 62480912
4-N-(3-chloro-4-methoxyphenyl)-6-N-(3-chlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877975
4-N-(3-chloro-4-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80762923
4-N-(5-chloro-2-methylphenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112875004
4-N-(3-chloro-4-methylphenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873604
4-N-(3-chloro-4-methoxyphenyl)-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878205
4-N-(3,4-dimethoxyphenyl)-2-methyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871871
6-N-(3-chloro-4-methoxyphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875685
4-N-(5-chloro-2-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872962
3-[[6-(3-chloro-4-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878212

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine (CID 112872728) is 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine is COc1ccc(Nc2cc(NCc3ccc(Cl)cc3)nc(C)n2)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is CKSLDQZEGMIQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c1-12-23-18(22-11-13-3-5-14(20)6-4-13)10-19(24-12)25-15-7-8-17(26-2)16(21)9-15/h3-10H,11H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine?
4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 389.29 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112872728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).