2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile

C11H13N3O — CID 116857963

IUPAC2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(C2CCOCC2)n1
InChIInChI=1S/C11H13N3O/c1-8-13-10(7-12)6-11(14-8)9-2-4-15-5-3-9/h6,9H,2-5H2,1H3
InChIKeyOKOFFFYGWXCOCK-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.55
Rot. Bonds1

About 2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile

2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile (PubChem CID 116857963) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile
PubChem CID116857963
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(C2CCOCC2)n1
InChIInChI=1S/C11H13N3O/c1-8-13-10(7-12)6-11(14-8)9-2-4-15-5-3-9/h6,9H,2-5H2,1H3
InChIKeyOKOFFFYGWXCOCK-UHFFFAOYSA-N
XLogP1.55
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
CID 115143283
6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile
CID 121206712
2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine
CID 116892590
6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 39347700
6-iodo-2-methylpyrimidine-4-carbonitrile
CID 130623670
N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 119064787
2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine
CID 116893325
6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
CID 115143281
2-methyl-N-(3-methylsulfanylphenyl)-6-(oxan-4-yl)pyrimidin-4-amine
CID 155980389
6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile
CID 107545937
3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116893658
4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine
CID 116893458

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile (CID 116857963) is 2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile is Cc1nc(C#N)cc(C2CCOCC2)n1.
What is the InChIKey of 2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile?
The InChIKey is OKOFFFYGWXCOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-13-10(7-12)6-11(14-8)9-2-4-15-5-3-9/h6,9H,2-5H2,1H3.
What are the key properties of 2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile?
2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile has a molecular weight of 203.24 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 116857963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).