2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine

C19H19ClN4 — CID 112915711

IUPAC2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Cl)c2C)nc(NCc2ccccc2)n1
InChIInChI=1S/C19H19ClN4/c1-13-11-18(23-17-10-6-9-16(20)14(17)2)24-19(22-13)21-12-15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyHMVWUPDNJCOYTD-UHFFFAOYSA-N
MW338.84 g/mol
LogP5.10
Rot. Bonds5

About 2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine

2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112915711) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112915711
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Cl)c2C)nc(NCc2ccccc2)n1
InChIInChI=1S/C19H19ClN4/c1-13-11-18(23-17-10-6-9-16(20)14(17)2)24-19(22-13)21-12-15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyHMVWUPDNJCOYTD-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

4-N-(3-chloro-2-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80762805
2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112915708
2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915698
4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112915465
4-N-(3-chloro-2-methylphenyl)-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927418
2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918116
4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918596
2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112915689
2-N-(2-chlorophenyl)-4-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918017
4-N-(3-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112929892
4-N-(3-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935319
2-N-(3-chloro-2-methylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907174

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine (CID 112915711) is 2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2cccc(Cl)c2C)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is HMVWUPDNJCOYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-13-11-18(23-17-10-6-9-16(20)14(17)2)24-19(22-13)21-12-15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-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 2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112915711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).