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

C12H13ClN4 — CID 114250639

IUPAC4-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(C)c2Cl)nc(N)n1
InChIInChI=1S/C12H13ClN4/c1-7-4-3-5-9(11(7)13)16-10-6-8(2)15-12(14)17-10/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyRHSXLDLRSBXUFT-UHFFFAOYSA-N
MW248.72 g/mol
LogP3.07
Rot. Bonds2

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

4-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 114250639) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 4-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID114250639
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name4-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(C)c2Cl)nc(N)n1
InChIInChI=1S/C12H13ClN4/c1-7-4-3-5-9(11(7)13)16-10-6-8(2)15-12(14)17-10/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyRHSXLDLRSBXUFT-UHFFFAOYSA-N
XLogP3.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80759461
4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 56921023
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107800146
4-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80834320
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002705
2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine
CID 114250638
4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 2730124
6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 67948246
2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
CID 114765804
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112726031
4-N-(5-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755709

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-2,4-diamine (CID 114250639) is 4-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2cccc(C)c2Cl)nc(N)n1.
What is the InChIKey of 4-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is RHSXLDLRSBXUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-7-4-3-5-9(11(7)13)16-10-6-8(2)15-12(14)17-10/h3-6H,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 248.72 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 114250639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).