2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile

C12H15N5O — CID 107545115

IUPAC2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(NCC(=O)N2CCCCC2)n1
InChIInChI=1S/C12H15N5O/c13-8-10-4-5-14-12(16-10)15-9-11(18)17-6-2-1-3-7-17/h4-5H,1-3,6-7,9H2,(H,14,15,16)
InChIKeyPJMKZKYAAKVQPA-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.77
Rot. Bonds3

About 2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile

2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile (PubChem CID 107545115) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile
PubChem CID107545115
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(NCC(=O)N2CCCCC2)n1
InChIInChI=1S/C12H15N5O/c13-8-10-4-5-14-12(16-10)15-9-11(18)17-6-2-1-3-7-17/h4-5H,1-3,6-7,9H2,(H,14,15,16)
InChIKeyPJMKZKYAAKVQPA-UHFFFAOYSA-N
XLogP0.77
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 113224733
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile
CID 107544433
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
CID 112692141
2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115695339
2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 28580921
2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
CID 62958222
2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113406477
3-[(4-cyanopyrimidin-2-yl)amino]butanoic acid
CID 107542834
5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid
CID 107542986
5-[[(4-cyanopyrimidin-2-yl)amino]methyl]furan-2-carboxylic acid
CID 107543095
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 114600755

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile (CID 107545115) is 2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile is N#Cc1ccnc(NCC(=O)N2CCCCC2)n1.
What is the InChIKey of 2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is PJMKZKYAAKVQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-8-10-4-5-14-12(16-10)15-9-11(18)17-6-2-1-3-7-17/h4-5H,1-3,6-7,9H2,(H,14,15,16).
What are the key properties of 2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile?
2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile has a molecular weight of 245.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).