[1-[[(4-cyclopentylpyrimidin-2-yl)-methylamino]methyl]cyclobutyl]methanol

C16H25N3O — CID 56861289

IUPAC[1-[[(4-cyclopentylpyrimidin-2-yl)-methylamino]methyl]cyclobutyl]methanol
SMILESCN(CC1(CO)CCC1)c1nccc(C2CCCC2)n1
InChIInChI=1S/C16H25N3O/c1-19(11-16(12-20)8-4-9-16)15-17-10-7-14(18-15)13-5-2-3-6-13/h7,10,13,20H,2-6,8-9,11-12H2,1H3
InChIKeyBQQMWRRJNDDXMJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.73
Rot. Bonds5

About [1-[[(4-cyclopentylpyrimidin-2-yl)-methylamino]methyl]cyclobutyl]methanol

[1-[[(4-cyclopentylpyrimidin-2-yl)-methylamino]methyl]cyclobutyl]methanol (PubChem CID 56861289) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [1-[[(4-cyclopentylpyrimidin-2-yl)-methylamino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[(4-cyclopentylpyrimidin-2-yl)-methylamino]methyl]cyclobutyl]methanol
PubChem CID56861289
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[1-[[(4-cyclopentylpyrimidin-2-yl)-methylamino]methyl]cyclobutyl]methanol
SMILESCN(CC1(CO)CCC1)c1nccc(C2CCCC2)n1
InChIInChI=1S/C16H25N3O/c1-19(11-16(12-20)8-4-9-16)15-17-10-7-14(18-15)13-5-2-3-6-13/h7,10,13,20H,2-6,8-9,11-12H2,1H3
InChIKeyBQQMWRRJNDDXMJ-UHFFFAOYSA-N
XLogP2.73
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[(4-cyclopentylpyrimidin-2-yl)-methylamino]methyl]cyclobutyl]methanol 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 [1-[[(4-cyclopentylpyrimidin-2-yl)-methylamino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[(4-cyclopentylpyrimidin-2-yl)-methylamino]methyl]cyclobutyl]methanol (CID 56861289) is [1-[[(4-cyclopentylpyrimidin-2-yl)-methylamino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[(4-cyclopentylpyrimidin-2-yl)-methylamino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[(4-cyclopentylpyrimidin-2-yl)-methylamino]methyl]cyclobutyl]methanol is CN(CC1(CO)CCC1)c1nccc(C2CCCC2)n1.
What is the InChIKey of [1-[[(4-cyclopentylpyrimidin-2-yl)-methylamino]methyl]cyclobutyl]methanol?
The InChIKey is BQQMWRRJNDDXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(11-16(12-20)8-4-9-16)15-17-10-7-14(18-15)13-5-2-3-6-13/h7,10,13,20H,2-6,8-9,11-12H2,1H3.
What are the key properties of [1-[[(4-cyclopentylpyrimidin-2-yl)-methylamino]methyl]cyclobutyl]methanol?
[1-[[(4-cyclopentylpyrimidin-2-yl)-methylamino]methyl]cyclobutyl]methanol has a molecular weight of 275.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-cyclopentylpyrimidin-2-yl)-methylamino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 56861289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).