4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile

C15H14N4O2 — CID 137291673

IUPAC4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(C2CCOCC2)nc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C15H14N4O2/c16-9-12-13(10-3-7-21-8-4-10)18-14(19-15(12)20)11-1-5-17-6-2-11/h1-2,5-6,10H,3-4,7-8H2,(H,18,19,20)
InChIKeyROLSTLUYCJQZIW-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.60
Rot. Bonds2

About 4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile

4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile (PubChem CID 137291673) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile
PubChem CID137291673
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(C2CCOCC2)nc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C15H14N4O2/c16-9-12-13(10-3-7-21-8-4-10)18-14(19-15(12)20)11-1-5-17-6-2-11/h1-2,5-6,10H,3-4,7-8H2,(H,18,19,20)
InChIKeyROLSTLUYCJQZIW-UHFFFAOYSA-N
XLogP1.60
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile (CID 137291673) is 4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile is N#Cc1c(C2CCOCC2)nc(-c2ccncc2)[nH]c1=O.
What is the InChIKey of 4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile?
The InChIKey is ROLSTLUYCJQZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-9-12-13(10-3-7-21-8-4-10)18-14(19-15(12)20)11-1-5-17-6-2-11/h1-2,5-6,10H,3-4,7-8H2,(H,18,19,20).
What are the key properties of 4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile?
4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 137291673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).