2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine

C17H21N3 — CID 63078296

IUPAC2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C17H21N3/c1-2-12-18-15-9-13-19-16(20-15)17(10-6-11-17)14-7-4-3-5-8-14/h3-5,7-9,13H,2,6,10-12H2,1H3,(H,18,19,20)
InChIKeyYMEODXYTFBMUQU-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.77
Rot. Bonds5

About 2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine

2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine (PubChem CID 63078296) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine
PubChem CID63078296
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C17H21N3/c1-2-12-18-15-9-13-19-16(20-15)17(10-6-11-17)14-7-4-3-5-8-14/h3-5,7-9,13H,2,6,10-12H2,1H3,(H,18,19,20)
InChIKeyYMEODXYTFBMUQU-UHFFFAOYSA-N
XLogP3.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine (CID 63078296) is 2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine is CCCNc1ccnc(C2(c3ccccc3)CCC2)n1.
What is the InChIKey of 2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine?
The InChIKey is YMEODXYTFBMUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-12-18-15-9-13-19-16(20-15)17(10-6-11-17)14-7-4-3-5-8-14/h3-5,7-9,13H,2,6,10-12H2,1H3,(H,18,19,20).
What are the key properties of 2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine?
2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylcyclobutyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63078296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).