[6-methyl-2-(2-methylidene-5-oxopyrrolidin-1-yl)pyrimidin-4-yl]methanetricarbonitrile

C14H10N6O — CID 135210800

IUPAC[6-methyl-2-(2-methylidene-5-oxopyrrolidin-1-yl)pyrimidin-4-yl]methanetricarbonitrile
SMILESC=C1CCC(=O)N1c1nc(C)cc(C(C#N)(C#N)C#N)n1
InChIInChI=1S/C14H10N6O/c1-9-5-11(14(6-15,7-16)8-17)19-13(18-9)20-10(2)3-4-12(20)21/h5H,2-4H2,1H3
InChIKeyUKALNAHHASUBQP-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.23
Rot. Bonds2

About [6-methyl-2-(2-methylidene-5-oxopyrrolidin-1-yl)pyrimidin-4-yl]methanetricarbonitrile

[6-methyl-2-(2-methylidene-5-oxopyrrolidin-1-yl)pyrimidin-4-yl]methanetricarbonitrile (PubChem CID 135210800) has the molecular formula C14H10N6O and a molecular weight of 278.27 g/mol. Its IUPAC name is [6-methyl-2-(2-methylidene-5-oxopyrrolidin-1-yl)pyrimidin-4-yl]methanetricarbonitrile.

Molecular Properties

Compound Name[6-methyl-2-(2-methylidene-5-oxopyrrolidin-1-yl)pyrimidin-4-yl]methanetricarbonitrile
PubChem CID135210800
Molecular FormulaC14H10N6O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name[6-methyl-2-(2-methylidene-5-oxopyrrolidin-1-yl)pyrimidin-4-yl]methanetricarbonitrile
SMILESC=C1CCC(=O)N1c1nc(C)cc(C(C#N)(C#N)C#N)n1
InChIInChI=1S/C14H10N6O/c1-9-5-11(14(6-15,7-16)8-17)19-13(18-9)20-10(2)3-4-12(20)21/h5H,2-4H2,1H3
InChIKeyUKALNAHHASUBQP-UHFFFAOYSA-N
XLogP1.23
TPSA117.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(2-methylidene-5-oxopyrrolidin-1-yl)pyrimidin-4-yl]methanetricarbonitrile?
The IUPAC name of [6-methyl-2-(2-methylidene-5-oxopyrrolidin-1-yl)pyrimidin-4-yl]methanetricarbonitrile (CID 135210800) is [6-methyl-2-(2-methylidene-5-oxopyrrolidin-1-yl)pyrimidin-4-yl]methanetricarbonitrile.
What is the SMILES notation for [6-methyl-2-(2-methylidene-5-oxopyrrolidin-1-yl)pyrimidin-4-yl]methanetricarbonitrile?
The canonical SMILES for [6-methyl-2-(2-methylidene-5-oxopyrrolidin-1-yl)pyrimidin-4-yl]methanetricarbonitrile is C=C1CCC(=O)N1c1nc(C)cc(C(C#N)(C#N)C#N)n1.
What is the InChIKey of [6-methyl-2-(2-methylidene-5-oxopyrrolidin-1-yl)pyrimidin-4-yl]methanetricarbonitrile?
The InChIKey is UKALNAHHASUBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O/c1-9-5-11(14(6-15,7-16)8-17)19-13(18-9)20-10(2)3-4-12(20)21/h5H,2-4H2,1H3.
What are the key properties of [6-methyl-2-(2-methylidene-5-oxopyrrolidin-1-yl)pyrimidin-4-yl]methanetricarbonitrile?
[6-methyl-2-(2-methylidene-5-oxopyrrolidin-1-yl)pyrimidin-4-yl]methanetricarbonitrile has a molecular weight of 278.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(2-methylidene-5-oxopyrrolidin-1-yl)pyrimidin-4-yl]methanetricarbonitrile is sourced from PubChem (CID 135210800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).