2,2-dimethyl-5-(6-oxopyrimidin-1-yl)pentanenitrile

C11H15N3O — CID 65257484

IUPAC2,2-dimethyl-5-(6-oxopyrimidin-1-yl)pentanenitrile
SMILESCC(C)(C#N)CCCn1cnccc1=O
InChIInChI=1S/C11H15N3O/c1-11(2,8-12)5-3-7-14-9-13-6-4-10(14)15/h4,6,9H,3,5,7H2,1-2H3
InChIKeyOLMSCKXAMDEPAM-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.57
Rot. Bonds4

About 2,2-dimethyl-5-(6-oxopyrimidin-1-yl)pentanenitrile

2,2-dimethyl-5-(6-oxopyrimidin-1-yl)pentanenitrile (PubChem CID 65257484) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2,2-dimethyl-5-(6-oxopyrimidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(6-oxopyrimidin-1-yl)pentanenitrile
PubChem CID65257484
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2,2-dimethyl-5-(6-oxopyrimidin-1-yl)pentanenitrile
SMILESCC(C)(C#N)CCCn1cnccc1=O
InChIInChI=1S/C11H15N3O/c1-11(2,8-12)5-3-7-14-9-13-6-4-10(14)15/h4,6,9H,3,5,7H2,1-2H3
InChIKeyOLMSCKXAMDEPAM-UHFFFAOYSA-N
XLogP1.57
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(6-oxopyrimidin-1-yl)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(6-oxopyrimidin-1-yl)pentanenitrile (CID 65257484) is 2,2-dimethyl-5-(6-oxopyrimidin-1-yl)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(6-oxopyrimidin-1-yl)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(6-oxopyrimidin-1-yl)pentanenitrile is CC(C)(C#N)CCCn1cnccc1=O.
What is the InChIKey of 2,2-dimethyl-5-(6-oxopyrimidin-1-yl)pentanenitrile?
The InChIKey is OLMSCKXAMDEPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(2,8-12)5-3-7-14-9-13-6-4-10(14)15/h4,6,9H,3,5,7H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(6-oxopyrimidin-1-yl)pentanenitrile?
2,2-dimethyl-5-(6-oxopyrimidin-1-yl)pentanenitrile has a molecular weight of 205.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(6-oxopyrimidin-1-yl)pentanenitrile is sourced from PubChem (CID 65257484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).