4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine

C12H14ClN5 — CID 114256694

IUPAC4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(Nc2ccc(Cl)cc2C)nc(N)n1
InChIInChI=1S/C12H14ClN5/c1-7-5-8(13)3-4-9(7)16-11-6-10(15-2)17-12(14)18-11/h3-6H,1-2H3,(H4,14,15,16,17,18)
InChIKeyRCWJZPVIHYSLNB-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.81
Rot. Bonds3

About 4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine

4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine (PubChem CID 114256694) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
PubChem CID114256694
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(Nc2ccc(Cl)cc2C)nc(N)n1
InChIInChI=1S/C12H14ClN5/c1-7-5-8(13)3-4-9(7)16-11-6-10(15-2)17-12(14)18-11/h3-6H,1-2H3,(H4,14,15,16,17,18)
InChIKeyRCWJZPVIHYSLNB-UHFFFAOYSA-N
XLogP2.81
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(5-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755709
4-N-(2,4-dichlorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80759587
4-N-(2-chloro-4-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755521
2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine
CID 80648132
4-N-(5-iodo-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 114258171
4-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80817280
4-N-(2,4-dichlorophenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80921104
4-N-(5-chloro-2-methylphenyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769943
6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114256687
6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
CID 114256298
4-N-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 107371108
6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
CID 112869075

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine (CID 114256694) is 4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine is CNc1cc(Nc2ccc(Cl)cc2C)nc(N)n1.
What is the InChIKey of 4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is RCWJZPVIHYSLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-7-5-8(13)3-4-9(7)16-11-6-10(15-2)17-12(14)18-11/h3-6H,1-2H3,(H4,14,15,16,17,18).
What are the key properties of 4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine?
4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 263.73 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 114256694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).