6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide

C9H12N4O2 — CID 140906989

IUPAC6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(=O)[nH]c(N2CCCC2)n1
InChIInChI=1S/C9H12N4O2/c10-8(15)6-5-7(14)12-9(11-6)13-3-1-2-4-13/h5H,1-4H2,(H2,10,15)(H,11,12,14)
InChIKeyYHYKSRIPFAFMIL-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.53
Rot. Bonds2

About 6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide

6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide (PubChem CID 140906989) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide
PubChem CID140906989
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(=O)[nH]c(N2CCCC2)n1
InChIInChI=1S/C9H12N4O2/c10-8(15)6-5-7(14)12-9(11-6)13-3-1-2-4-13/h5H,1-4H2,(H2,10,15)(H,11,12,14)
InChIKeyYHYKSRIPFAFMIL-UHFFFAOYSA-N
XLogP-0.53
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide (CID 140906989) is 6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide is NC(=O)c1cc(=O)[nH]c(N2CCCC2)n1.
What is the InChIKey of 6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is YHYKSRIPFAFMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-8(15)6-5-7(14)12-9(11-6)13-3-1-2-4-13/h5H,1-4H2,(H2,10,15)(H,11,12,14).
What are the key properties of 6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide?
6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 208.22 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 140906989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).