6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine

C12H12ClN3 — CID 63734039

IUPAC6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
SMILESCc1ccccc1Nc1ncnc(Cl)c1C
InChIInChI=1S/C12H12ClN3/c1-8-5-3-4-6-10(8)16-12-9(2)11(13)14-7-15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyQGJYKGAJXQYZNH-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.49
Rot. Bonds2

About 6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine

6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine (PubChem CID 63734039) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
PubChem CID63734039
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
SMILESCc1ccccc1Nc1ncnc(Cl)c1C
InChIInChI=1S/C12H12ClN3/c1-8-5-3-4-6-10(8)16-12-9(2)11(13)14-7-15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyQGJYKGAJXQYZNH-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine
CID 63736084
4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 114250669
N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55230638
5,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 54139219
6,7-dimethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 18685587
6-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 63735421
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine
CID 63735765
4-N-(3,5-dimethylphenyl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22540987
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147805
6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147870

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine (CID 63734039) is 6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine is Cc1ccccc1Nc1ncnc(Cl)c1C.
What is the InChIKey of 6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine?
The InChIKey is QGJYKGAJXQYZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-8-5-3-4-6-10(8)16-12-9(2)11(13)14-7-15-12/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine?
6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine has a molecular weight of 233.70 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 63734039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).