2-(2-tert-butylpyrimidin-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile

C17H15N5O — CID 135181920

IUPAC2-(2-tert-butylpyrimidin-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCC(C)(C)c1ncc(-c2nc3ccccn3c(=O)c2C#N)cn1
InChIInChI=1S/C17H15N5O/c1-17(2,3)16-19-9-11(10-20-16)14-12(8-18)15(23)22-7-5-4-6-13(22)21-14/h4-7,9-10H,1-3H3
InChIKeyOLAMGRAIMPEFPV-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.32
Rot. Bonds1

About 2-(2-tert-butylpyrimidin-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile

2-(2-tert-butylpyrimidin-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile (PubChem CID 135181920) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(2-tert-butylpyrimidin-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-tert-butylpyrimidin-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
PubChem CID135181920
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-(2-tert-butylpyrimidin-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCC(C)(C)c1ncc(-c2nc3ccccn3c(=O)c2C#N)cn1
InChIInChI=1S/C17H15N5O/c1-17(2,3)16-19-9-11(10-20-16)14-12(8-18)15(23)22-7-5-4-6-13(22)21-14/h4-7,9-10H,1-3H3
InChIKeyOLAMGRAIMPEFPV-UHFFFAOYSA-N
XLogP2.32
TPSA83.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylpyrimidin-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-(2-tert-butylpyrimidin-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile (CID 135181920) is 2-(2-tert-butylpyrimidin-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-(2-tert-butylpyrimidin-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-(2-tert-butylpyrimidin-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile is CC(C)(C)c1ncc(-c2nc3ccccn3c(=O)c2C#N)cn1.
What is the InChIKey of 2-(2-tert-butylpyrimidin-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile?
The InChIKey is OLAMGRAIMPEFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-17(2,3)16-19-9-11(10-20-16)14-12(8-18)15(23)22-7-5-4-6-13(22)21-14/h4-7,9-10H,1-3H3.
What are the key properties of 2-(2-tert-butylpyrimidin-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile?
2-(2-tert-butylpyrimidin-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile has a molecular weight of 305.34 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylpyrimidin-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 135181920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).