2-amino-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile

C9H11N5O — CID 135451994

IUPAC2-amino-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(N2CCCC2)nc(N)[nH]c1=O
InChIInChI=1S/C9H11N5O/c10-5-6-7(14-3-1-2-4-14)12-9(11)13-8(6)15/h1-4H2,(H3,11,12,13,15)
InChIKeyJYFCUWOHOSDYQJ-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.18
Rot. Bonds1

About 2-amino-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile

2-amino-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile (PubChem CID 135451994) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-amino-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile
PubChem CID135451994
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-amino-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(N2CCCC2)nc(N)[nH]c1=O
InChIInChI=1S/C9H11N5O/c10-5-6-7(14-3-1-2-4-14)12-9(11)13-8(6)15/h1-4H2,(H3,11,12,13,15)
InChIKeyJYFCUWOHOSDYQJ-UHFFFAOYSA-N
XLogP-0.18
TPSA98.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-6-oxo-4-(1-pyrrolidinyl)-1,6-dihydro-5-pyrimidinecarbonitrile
CID 385031
2-(diethylamino)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189851
6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile
CID 104189887
4-amino-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136077652

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile (CID 135451994) is 2-amino-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile is N#Cc1c(N2CCCC2)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile?
The InChIKey is JYFCUWOHOSDYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c10-5-6-7(14-3-1-2-4-14)12-9(11)13-8(6)15/h1-4H2,(H3,11,12,13,15).
What are the key properties of 2-amino-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile?
2-amino-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile has a molecular weight of 205.22 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135451994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).