4-chloro-5-methyl-6-phenylpyrimidin-2-amine

C11H10ClN3 — CID 13377422

IUPAC4-chloro-5-methyl-6-phenylpyrimidin-2-amine
SMILESCc1c(Cl)nc(N)nc1-c1ccccc1
InChIInChI=1S/C11H10ClN3/c1-7-9(8-5-3-2-4-6-8)14-11(13)15-10(7)12/h2-6H,1H3,(H2,13,14,15)
InChIKeyFYDXFOVDFWZZNU-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.69
Rot. Bonds1

About 4-chloro-5-methyl-6-phenylpyrimidin-2-amine

4-chloro-5-methyl-6-phenylpyrimidin-2-amine (PubChem CID 13377422) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-phenylpyrimidin-2-amine
PubChem CID13377422
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name4-chloro-5-methyl-6-phenylpyrimidin-2-amine
SMILESCc1c(Cl)nc(N)nc1-c1ccccc1
InChIInChI=1S/C11H10ClN3/c1-7-9(8-5-3-2-4-6-8)14-11(13)15-10(7)12/h2-6H,1H3,(H2,13,14,15)
InChIKeyFYDXFOVDFWZZNU-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

Pyrimethamine
CID 4993
Metoprine
CID 24466
Etoprine
CID 29142
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
4,6-Dichloro-2-phenylpyrimidin-5-amine
CID 736673
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-phenylpyrimidin-2-amine?
The IUPAC name of 4-chloro-5-methyl-6-phenylpyrimidin-2-amine (CID 13377422) is 4-chloro-5-methyl-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-methyl-6-phenylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-methyl-6-phenylpyrimidin-2-amine is Cc1c(Cl)nc(N)nc1-c1ccccc1.
What is the InChIKey of 4-chloro-5-methyl-6-phenylpyrimidin-2-amine?
The InChIKey is FYDXFOVDFWZZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c1-7-9(8-5-3-2-4-6-8)14-11(13)15-10(7)12/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 4-chloro-5-methyl-6-phenylpyrimidin-2-amine?
4-chloro-5-methyl-6-phenylpyrimidin-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-methyl-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 13377422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).