4-chloro-5-(4-methylphenyl)pyrimidin-2-amine

C11H10ClN3 — CID 117260801

IUPAC4-chloro-5-(4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cnc(N)nc2Cl)cc1
InChIInChI=1S/C11H10ClN3/c1-7-2-4-8(5-3-7)9-6-14-11(13)15-10(9)12/h2-6H,1H3,(H2,13,14,15)
InChIKeySLTBLHDWVRKACR-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.69
Rot. Bonds1

About 4-chloro-5-(4-methylphenyl)pyrimidin-2-amine

4-chloro-5-(4-methylphenyl)pyrimidin-2-amine (PubChem CID 117260801) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 4-chloro-5-(4-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-(4-methylphenyl)pyrimidin-2-amine
PubChem CID117260801
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name4-chloro-5-(4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cnc(N)nc2Cl)cc1
InChIInChI=1S/C11H10ClN3/c1-7-2-4-8(5-3-7)9-6-14-11(13)15-10(9)12/h2-6H,1H3,(H2,13,14,15)
InChIKeySLTBLHDWVRKACR-UHFFFAOYSA-N
XLogP2.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-phenylpyrimidin-2-amine
CID 89417218
2,4-dichloro-5-(4-methoxyphenyl)pyrimidine
CID 19735441
4-chloro-2-methyl-5-phenylpyrimidine
CID 19917991
4-(4-chloro-2-methylpyrimidin-5-yl)phenol
CID 117260826
5-bromo-4-(4-methylphenyl)pyrimidin-2-amine
CID 134854467
5-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-1H-pyridazin-6-one
CID 90708322
N-[5-(2-amino-4-methylpyrimidin-5-yl)-2-chlorophenyl]methanesulfonamide
CID 68726786
azane;5-(6-chloro-3-pyridinyl)-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine
CID 87999920
5-(2-amino-4-methylpyrimidin-5-yl)-2-chloro-3-(4-chlorophenyl)benzenesulfonamide
CID 142783722
4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine
CID 2825682
4-chloro-5-ethylpyrimidin-2-amine
CID 24903854
7-(2-aminopyrimidin-4-yl)-4-(4-methylphenyl)isoquinolin-1-amine
CID 44527450

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-5-(4-methylphenyl)pyrimidin-2-amine (CID 117260801) is 4-chloro-5-(4-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-(4-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-(4-methylphenyl)pyrimidin-2-amine is Cc1ccc(-c2cnc(N)nc2Cl)cc1.
What is the InChIKey of 4-chloro-5-(4-methylphenyl)pyrimidin-2-amine?
The InChIKey is SLTBLHDWVRKACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c1-7-2-4-8(5-3-7)9-6-14-11(13)15-10(9)12/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 4-chloro-5-(4-methylphenyl)pyrimidin-2-amine?
4-chloro-5-(4-methylphenyl)pyrimidin-2-amine has a molecular weight of 219.68 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 117260801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).