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

C9H7N5O2 — CID 140765787

IUPAC6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(=O)[nH]c(-c2ncccn2)n1
InChIInChI=1S/C9H7N5O2/c10-7(16)5-4-6(15)14-9(13-5)8-11-2-1-3-12-8/h1-4H,(H2,10,16)(H,13,14,15)
InChIKeyBJBMIOSZBJGKNF-UHFFFAOYSA-N
MW217.19 g/mol
LogP-0.67
Rot. Bonds2

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

6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 140765787) has the molecular formula C9H7N5O2 and a molecular weight of 217.19 g/mol. Its IUPAC name is 6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID140765787
Molecular FormulaC9H7N5O2
Molecular Weight217.19 g/mol
Exact Mass217.06
IUPAC Name6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(=O)[nH]c(-c2ncccn2)n1
InChIInChI=1S/C9H7N5O2/c10-7(16)5-4-6(15)14-9(13-5)8-11-2-1-3-12-8/h1-4H,(H2,10,16)(H,13,14,15)
InChIKeyBJBMIOSZBJGKNF-UHFFFAOYSA-N
XLogP-0.67
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982620
ethyl 4-[1-[(6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carbonyl)amino]ethyl]benzoate
CID 146540751
[4-[(1R)-1-[(6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carbonyl)amino]ethyl]phenyl] hypofluorite
CID 136983135
4-[2-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropyl]acetyl]-2-pyrimidin-2-yl-1H-pyrimidin-6-one
CID 158157108
N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982694
N-[(1R)-2-methyl-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]propyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136983000
6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide
CID 137126229
6-oxo-2-pyrimidin-2-yl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 137126165
4-[(3R)-4-methyl-3-[4-(trifluoromethoxy)phenyl]pentanoyl]-2-pyrimidin-2-yl-1H-pyrimidin-6-one
CID 157443156
N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982898
N-[3-methyl-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-2-yl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982899
4-[3-[2-chloro-4-(trifluoromethyl)phenyl]butanoyl]-2-pyrimidin-2-yl-1H-pyrimidin-6-one
CID 149228576

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide (CID 140765787) is 6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide is NC(=O)c1cc(=O)[nH]c(-c2ncccn2)n1.
What is the InChIKey of 6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is BJBMIOSZBJGKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O2/c10-7(16)5-4-6(15)14-9(13-5)8-11-2-1-3-12-8/h1-4H,(H2,10,16)(H,13,14,15).
What are the key properties of 6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide?
6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 217.19 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 140765787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).