2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile

C12H15N3O — CID 107545986

IUPAC2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(OCC2CCCC2)n1
InChIInChI=1S/C12H15N3O/c1-9-6-11(7-13)15-12(14-9)16-8-10-4-2-3-5-10/h6,10H,2-5,8H2,1H3
InChIKeyCGRAQBVQHMRIGK-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.23
Rot. Bonds3

About 2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile

2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile (PubChem CID 107545986) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile
PubChem CID107545986
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(OCC2CCCC2)n1
InChIInChI=1S/C12H15N3O/c1-9-6-11(7-13)15-12(14-9)16-8-10-4-2-3-5-10/h6,10H,2-5,8H2,1H3
InChIKeyCGRAQBVQHMRIGK-UHFFFAOYSA-N
XLogP2.23
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile (CID 107545986) is 2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(OCC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is CGRAQBVQHMRIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-6-11(7-13)15-12(14-9)16-8-10-4-2-3-5-10/h6,10H,2-5,8H2,1H3.
What are the key properties of 2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile?
2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107545986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).