4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine

C16H19N3 — CID 104609397

IUPAC4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(C2CC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C16H19N3/c1-11(2)14-10-15(12-8-9-12)19-16(18-14)17-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyVTMLRUUCYBDASH-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.22
Rot. Bonds4

About 4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine

4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine (PubChem CID 104609397) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine
PubChem CID104609397
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(C2CC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C16H19N3/c1-11(2)14-10-15(12-8-9-12)19-16(18-14)17-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyVTMLRUUCYBDASH-UHFFFAOYSA-N
XLogP4.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine
CID 104609384
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;methane
CID 157311449
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine
CID 67815515
4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine
CID 19874089
4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
CID 19874092
2-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-2-amine
CID 63318995
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;(E)-non-2-enoic acid
CID 138505615
2-anilino-4-cyclopropyl-1H-pyrimidin-6-one
CID 135812631
4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine
CID 142647855
5-(2-aminobutyl)-4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine
CID 57192096
4-cyclopropyl-2-piperidin-2-yl-6-propan-2-ylpyrimidine
CID 63319142
4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 83718542

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine (CID 104609397) is 4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine is CC(C)c1cc(C2CC2)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is VTMLRUUCYBDASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-11(2)14-10-15(12-8-9-12)19-16(18-14)17-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine?
4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 253.35 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 104609397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).