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

C11H9Cl2N3 — CID 66255009

IUPAC6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
SMILESCc1cccc(Cl)c1Nc1cc(Cl)ncn1
InChIInChI=1S/C11H9Cl2N3/c1-7-3-2-4-8(12)11(7)16-10-5-9(13)14-6-15-10/h2-6H,1H3,(H,14,15,16)
InChIKeyPVBYQICDESIZPQ-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.84
Rot. Bonds2

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

6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine (PubChem CID 66255009) has the molecular formula C11H9Cl2N3 and a molecular weight of 254.12 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
PubChem CID66255009
Molecular FormulaC11H9Cl2N3
Molecular Weight254.12 g/mol
Exact Mass253.02
IUPAC Name6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
SMILESCc1cccc(Cl)c1Nc1cc(Cl)ncn1
InChIInChI=1S/C11H9Cl2N3/c1-7-3-2-4-8(12)11(7)16-10-5-9(13)14-6-15-10/h2-6H,1H3,(H,14,15,16)
InChIKeyPVBYQICDESIZPQ-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80847426
N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357083
1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea
CID 117075041
5-bromo-N-(2-chloro-6-methylphenyl)pyridin-2-amine
CID 66255644
6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine
CID 66251442
6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
CID 86673656
4-N-(2,6-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866265
N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
CID 61277543
5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid
CID 107372478
1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 79033222
N-(2,6-dimethylphenyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 155924884

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine (CID 66255009) is 6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine is Cc1cccc(Cl)c1Nc1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine?
The InChIKey is PVBYQICDESIZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3/c1-7-3-2-4-8(12)11(7)16-10-5-9(13)14-6-15-10/h2-6H,1H3,(H,14,15,16).
What are the key properties of 6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine?
6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine has a molecular weight of 254.12 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66255009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).