2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbonitrile

C11H13N5O — CID 107544509

IUPAC2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbonitrile
SMILESCC1(C)C(=O)NCCN1c1nccc(C#N)n1
InChIInChI=1S/C11H13N5O/c1-11(2)9(17)13-5-6-16(11)10-14-4-3-8(7-12)15-10/h3-4H,5-6H2,1-2H3,(H,13,17)
InChIKeyRQJDACWOQSLLFL-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.06
Rot. Bonds1

About 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbonitrile

2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbonitrile (PubChem CID 107544509) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbonitrile
PubChem CID107544509
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbonitrile
SMILESCC1(C)C(=O)NCCN1c1nccc(C#N)n1
InChIInChI=1S/C11H13N5O/c1-11(2)9(17)13-5-6-16(11)10-14-4-3-8(7-12)15-10/h3-4H,5-6H2,1-2H3,(H,13,17)
InChIKeyRQJDACWOQSLLFL-UHFFFAOYSA-N
XLogP0.06
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one
CID 107542013
2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile
CID 55217288
2-(3,3-dimethylmorpholin-4-yl)pyrimidine-4-carbonitrile
CID 107543862
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114766284
4-(2-chloro-4-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 102824220
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63607448
3-bromo-4-(2,2-dimethyl-3-oxopiperazin-1-yl)benzonitrile
CID 82797520
2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268
2-chloro-4-(2,2-dimethyl-3-oxopiperazin-1-yl)benzonitrile
CID 63607098
2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107544517
2-(2-oxo-1,3-oxazolidin-3-yl)pyrimidine-4-carbonitrile
CID 145426910
4-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
CID 80833566

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbonitrile (CID 107544509) is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbonitrile is CC1(C)C(=O)NCCN1c1nccc(C#N)n1.
What is the InChIKey of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbonitrile?
The InChIKey is RQJDACWOQSLLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-11(2)9(17)13-5-6-16(11)10-14-4-3-8(7-12)15-10/h3-4H,5-6H2,1-2H3,(H,13,17).
What are the key properties of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbonitrile?
2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbonitrile has a molecular weight of 231.26 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).