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

C13H14ClN3 — CID 62191035

IUPAC2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3/c1-8(2)11-7-12(15)17-13(16-11)9-4-3-5-10(14)6-9/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyVQOTYQNZIKMKKL-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.50
Rot. Bonds2

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

2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 62191035) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID62191035
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3/c1-8(2)11-7-12(15)17-13(16-11)9-4-3-5-10(14)6-9/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyVQOTYQNZIKMKKL-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

2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine
CID 115528416
2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
CID 62192624
4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine
CID 82296144
2-(3,4-difluorophenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62191916
2-(3-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62319129
3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline
CID 55205286
6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 62201941
6-propan-2-yl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 62191558
2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine
CID 62203179
6-propan-2-ylpyrimidine-2,4-diamine
CID 12655163
4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 82106721
6-(3-chlorophenyl)pyridin-2-amine
CID 61230327

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine (CID 62191035) is 2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(N)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is VQOTYQNZIKMKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-8(2)11-7-12(15)17-13(16-11)9-4-3-5-10(14)6-9/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine?
2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-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 2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62191035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).