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

C12H13ClN4 — CID 80762667

IUPAC4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cccc(Cl)c2C)ncn1
InChIInChI=1S/C12H13ClN4/c1-8-9(13)4-3-5-10(8)17-12-6-11(14-2)15-7-16-12/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyLHTGQHIUSZUCSL-UHFFFAOYSA-N
MW248.72 g/mol
LogP3.22
Rot. Bonds3

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

4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80762667) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80762667
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cccc(Cl)c2C)ncn1
InChIInChI=1S/C12H13ClN4/c1-8-9(13)4-3-5-10(8)17-12-6-11(14-2)15-7-16-12/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyLHTGQHIUSZUCSL-UHFFFAOYSA-N
XLogP3.22
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416331
4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855366
6-N-(3-chloro-2-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80763212
6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865872
6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863489
4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865874
4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80797193
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine
CID 80759397
N-tert-butyl-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109353885
4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80763536
6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine
CID 80759856

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine (CID 80762667) is 4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2cccc(Cl)c2C)ncn1.
What is the InChIKey of 4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is LHTGQHIUSZUCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-8-9(13)4-3-5-10(8)17-12-6-11(14-2)15-7-16-12/h3-7H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 248.72 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80762667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).