2-chloro-N-(3-methylphenyl)pyrimidin-4-amine

C11H10ClN3 — CID 46859551

IUPAC2-chloro-N-(3-methylphenyl)pyrimidin-4-amine
SMILESCc1cccc(Nc2ccnc(Cl)n2)c1
InChIInChI=1S/C11H10ClN3/c1-8-3-2-4-9(7-8)14-10-5-6-13-11(12)15-10/h2-7H,1H3,(H,13,14,15)
InChIKeyXVNSMAJSCLHUGF-UHFFFAOYSA-N
MW219.68 g/mol
LogP3.18
Rot. Bonds2

About 2-chloro-N-(3-methylphenyl)pyrimidin-4-amine

2-chloro-N-(3-methylphenyl)pyrimidin-4-amine (PubChem CID 46859551) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 2-chloro-N-(3-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-methylphenyl)pyrimidin-4-amine
PubChem CID46859551
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name2-chloro-N-(3-methylphenyl)pyrimidin-4-amine
SMILESCc1cccc(Nc2ccnc(Cl)n2)c1
InChIInChI=1S/C11H10ClN3/c1-8-3-2-4-9(7-8)14-10-5-6-13-11(12)15-10/h2-7H,1H3,(H,13,14,15)
InChIKeyXVNSMAJSCLHUGF-UHFFFAOYSA-N
XLogP3.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 60726103
4-N-(3,4-dichlorophenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901934
2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 59828373
2-N-(4-bromophenyl)-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901881
2-chloro-N-(3-nitrophenyl)pyrimidin-4-amine
CID 46844785
2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 79632159
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
N-(3-methylphenyl)pyridin-2-amine
CID 12695761
bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
CID 158640919
5-[(2-chloropyrimidin-4-yl)amino]-2-methylbenzoic acid
CID 142717352
2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 60727037
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3-methylphenyl)pyrimidin-4-amine (CID 46859551) is 2-chloro-N-(3-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3-methylphenyl)pyrimidin-4-amine is Cc1cccc(Nc2ccnc(Cl)n2)c1.
What is the InChIKey of 2-chloro-N-(3-methylphenyl)pyrimidin-4-amine?
The InChIKey is XVNSMAJSCLHUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c1-8-3-2-4-9(7-8)14-10-5-6-13-11(12)15-10/h2-7H,1H3,(H,13,14,15).
What are the key properties of 2-chloro-N-(3-methylphenyl)pyrimidin-4-amine?
2-chloro-N-(3-methylphenyl)pyrimidin-4-amine has a molecular weight of 219.68 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 46859551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).