2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile

C14H11ClN6O — CID 155457167

IUPAC2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Cl)nc1Nc1cccnc1N1CCCC1=O
InChIInChI=1S/C14H11ClN6O/c15-14-18-8-9(7-16)12(20-14)19-10-3-1-5-17-13(10)21-6-2-4-11(21)22/h1,3,5,8H,2,4,6H2,(H,18,19,20)
InChIKeyUJKHJYQYOIBZFA-UHFFFAOYSA-N
MW314.74 g/mol
LogP2.27
Rot. Bonds3

About 2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile

2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile (PubChem CID 155457167) has the molecular formula C14H11ClN6O and a molecular weight of 314.74 g/mol. Its IUPAC name is 2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile
PubChem CID155457167
Molecular FormulaC14H11ClN6O
Molecular Weight314.74 g/mol
Exact Mass314.07
IUPAC Name2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Cl)nc1Nc1cccnc1N1CCCC1=O
InChIInChI=1S/C14H11ClN6O/c15-14-18-8-9(7-16)12(20-14)19-10-3-1-5-17-13(10)21-6-2-4-11(21)22/h1,3,5,8H,2,4,6H2,(H,18,19,20)
InChIKeyUJKHJYQYOIBZFA-UHFFFAOYSA-N
XLogP2.27
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile (CID 155457167) is 2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile is N#Cc1cnc(Cl)nc1Nc1cccnc1N1CCCC1=O.
What is the InChIKey of 2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is UJKHJYQYOIBZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O/c15-14-18-8-9(7-16)12(20-14)19-10-3-1-5-17-13(10)21-6-2-4-11(21)22/h1,3,5,8H,2,4,6H2,(H,18,19,20).
What are the key properties of 2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile?
2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 314.74 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 155457167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).