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

C19H19ClN4 — CID 112917792

IUPAC4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(C)cc(NCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H19ClN4/c1-13-7-9-16(10-8-13)23-19-22-14(2)11-18(24-19)21-12-15-5-3-4-6-17(15)20/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyKRGFEYBAVPRQIJ-UHFFFAOYSA-N
MW338.84 g/mol
LogP5.10
Rot. Bonds5

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

4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112917792) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112917792
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(C)cc(NCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H19ClN4/c1-13-7-9-16(10-8-13)23-19-22-14(2)11-18(24-19)21-12-15-5-3-4-6-17(15)20/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyKRGFEYBAVPRQIJ-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

2-N-(2-chlorophenyl)-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917807
methyl 4-[[4-[(2-chlorophenyl)methylamino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112917833
4-N-[(2-chlorophenyl)methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80786647
4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112915465
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112917931
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906838
4-N-[(2-chlorophenyl)methyl]-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907552
2-N-[(2-chlorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917471
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112917858
2-N-(3,5-dimethylphenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917253
4-N-[(2-fluorophenyl)methyl]-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112917280
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 112917792) is 4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2nc(C)cc(NCc3ccccc3Cl)n2)cc1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is KRGFEYBAVPRQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-13-7-9-16(10-8-13)23-19-22-14(2)11-18(24-19)21-12-15-5-3-4-6-17(15)20/h3-11H,12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-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 4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112917792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).