6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

C19H19ClN4 — CID 112872618

IUPAC6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2cc(NCc3ccccc3Cl)nc(C)n2)c1
InChIInChI=1S/C19H19ClN4/c1-13-6-5-8-16(10-13)24-19-11-18(22-14(2)23-19)21-12-15-7-3-4-9-17(15)20/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyIYSFDOWCLHIWHY-UHFFFAOYSA-N
MW338.84 g/mol
LogP5.10
Rot. Bonds5

About 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 112872618) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
PubChem CID112872618
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2cc(NCc3ccccc3Cl)nc(C)n2)c1
InChIInChI=1S/C19H19ClN4/c1-13-6-5-8-16(10-13)24-19-11-18(22-14(2)23-19)21-12-15-7-3-4-9-17(15)20/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyIYSFDOWCLHIWHY-UHFFFAOYSA-N
XLogP5.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.84
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-chlorophenyl)methylamino]-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109369971
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871761
6-N-[(2-chlorophenyl)methyl]-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112872603
4-N-(3-chloro-4-methoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872842
N-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine
CID 66324628
6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112872614
4-N-(3-chlorophenyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859904
2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112871962
4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112917792
methyl 3-[[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112871753
4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877027

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (CID 112872618) is 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is Cc1cccc(Nc2cc(NCc3ccccc3Cl)nc(C)n2)c1.
What is the InChIKey of 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is IYSFDOWCLHIWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-13-6-5-8-16(10-13)24-19-11-18(22-14(2)23-19)21-12-15-7-3-4-9-17(15)20/h3-11H,12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 338.84 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112872618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).