N-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide

C8H9N3O2 — CID 95916095

IUPACN-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc[nH]c1=O
InChIInChI=1S/C8H9N3O2/c12-7-6(3-9-4-10-7)8(13)11-5-1-2-5/h3-5H,1-2H2,(H,11,13)(H,9,10,12)
InChIKeyYYBFEDFONOSDBU-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.34
Rot. Bonds2

About N-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide

N-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 95916095) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is N-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID95916095
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC NameN-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc[nH]c1=O
InChIInChI=1S/C8H9N3O2/c12-7-6(3-9-4-10-7)8(13)11-5-1-2-5/h3-5H,1-2H2,(H,11,13)(H,9,10,12)
InChIKeyYYBFEDFONOSDBU-UHFFFAOYSA-N
XLogP-0.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dihydro-4-oxo-5-pyrimidinecarboxamide
CID 817685
N-(2-fluoroethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 133667150
N-cyclopropyl-1,4-dihydropyrimidine-5-carboxamide
CID 68040207
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 66307816
N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide
CID 66307817
3-(5-bromo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 66309358
5-(Aminomethyl)-3-cyclopropylpyrimidin-4-one
CID 83873297
5-(Aminomethyl)-3-propan-2-ylpyrimidin-4-one
CID 83873643
3-Cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one
CID 83875107
5-(Methylaminomethyl)-3-propan-2-ylpyrimidin-4-one
CID 83875797
3-Cyclopropyl-2-methyl-5-(methylaminomethyl)pyrimidin-4-one
CID 83878411

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 95916095) is N-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NC1CC1)c1cnc[nH]c1=O.
What is the InChIKey of N-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YYBFEDFONOSDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-7-6(3-9-4-10-7)8(13)11-5-1-2-5/h3-5H,1-2H2,(H,11,13)(H,9,10,12).
What are the key properties of N-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 179.18 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95916095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).