2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile

C11H13N3O2 — CID 104612125

IUPAC2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCOC1(c2ncc(C#N)c(=O)[nH]2)CCCC1
InChIInChI=1S/C11H13N3O2/c1-16-11(4-2-3-5-11)10-13-7-8(6-12)9(15)14-10/h7H,2-5H2,1H3,(H,13,14,15)
InChIKeyXCKPFVMVTQCWAI-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.06
Rot. Bonds2

About 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile

2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 104612125) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID104612125
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCOC1(c2ncc(C#N)c(=O)[nH]2)CCCC1
InChIInChI=1S/C11H13N3O2/c1-16-11(4-2-3-5-11)10-13-7-8(6-12)9(15)14-10/h7H,2-5H2,1H3,(H,13,14,15)
InChIKeyXCKPFVMVTQCWAI-UHFFFAOYSA-N
XLogP1.06
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile 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

2-(2-methyloxolan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189773
2-(2-methyloxan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189786
2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189840
2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609905
5-bromo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609933
5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609934
5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104612126
2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113563471
2-(1-ethoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113563472
2-(1-ethoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113563473
2-(1-methoxy-4-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113563474
5-(aminomethyl)-2-(1-ethoxycyclopentyl)-1H-pyrimidin-6-one
CID 113563477

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile (CID 104612125) is 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile is COC1(c2ncc(C#N)c(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is XCKPFVMVTQCWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-16-11(4-2-3-5-11)10-13-7-8(6-12)9(15)14-10/h7H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 219.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 104612125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).