2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile

C10H13N3O — CID 84771908

IUPAC2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile
SMILESCCc1nc(=O)[nH]c(CC)c1CC#N
InChIInChI=1S/C10H13N3O/c1-3-8-7(5-6-11)9(4-2)13-10(14)12-8/h3-5H2,1-2H3,(H,12,13,14)
InChIKeyMUGUNBJTPBNKNC-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.96
Rot. Bonds3

About 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile

2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile (PubChem CID 84771908) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile
PubChem CID84771908
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile
SMILESCCc1nc(=O)[nH]c(CC)c1CC#N
InChIInChI=1S/C10H13N3O/c1-3-8-7(5-6-11)9(4-2)13-10(14)12-8/h3-5H2,1-2H3,(H,12,13,14)
InChIKeyMUGUNBJTPBNKNC-UHFFFAOYSA-N
XLogP0.96
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile?
The IUPAC name of 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile (CID 84771908) is 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile.
What is the SMILES notation for 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile?
The canonical SMILES for 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile is CCc1nc(=O)[nH]c(CC)c1CC#N.
What is the InChIKey of 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile?
The InChIKey is MUGUNBJTPBNKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-3-8-7(5-6-11)9(4-2)13-10(14)12-8/h3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile?
2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile has a molecular weight of 191.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile is sourced from PubChem (CID 84771908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).