4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine

C13H14ClN3 — CID 82296144

IUPAC4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(-c2cccc(Cl)c2)nc(N)n1
InChIInChI=1S/C13H14ClN3/c1-8(2)11-7-12(17-13(15)16-11)9-4-3-5-10(14)6-9/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyUSLKWXNTYYOHKV-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.50
Rot. Bonds2

About 4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine

4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine (PubChem CID 82296144) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine
PubChem CID82296144
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(-c2cccc(Cl)c2)nc(N)n1
InChIInChI=1S/C13H14ClN3/c1-8(2)11-7-12(17-13(15)16-11)9-4-3-5-10(14)6-9/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyUSLKWXNTYYOHKV-UHFFFAOYSA-N
XLogP3.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.50
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
4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine (CID 82296144) is 4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine is CC(C)c1cc(-c2cccc(Cl)c2)nc(N)n1.
What is the InChIKey of 4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is USLKWXNTYYOHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-8(2)11-7-12(17-13(15)16-11)9-4-3-5-10(14)6-9/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine?
4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 247.73 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 82296144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).