2-imidazol-1-ylpyrimidine-4-carboxamide

C8H7N5O — CID 141444759

IUPAC2-imidazol-1-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C8H7N5O/c9-7(14)6-1-2-11-8(12-6)13-4-3-10-5-13/h1-5H,(H2,9,14)
InChIKeyRFPBOHPQKCIPNK-UHFFFAOYSA-N
MW189.18 g/mol
LogP-0.24
Rot. Bonds2

About 2-imidazol-1-ylpyrimidine-4-carboxamide

2-imidazol-1-ylpyrimidine-4-carboxamide (PubChem CID 141444759) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is 2-imidazol-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-ylpyrimidine-4-carboxamide
PubChem CID141444759
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC Name2-imidazol-1-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C8H7N5O/c9-7(14)6-1-2-11-8(12-6)13-4-3-10-5-13/h1-5H,(H2,9,14)
InChIKeyRFPBOHPQKCIPNK-UHFFFAOYSA-N
XLogP-0.24
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide
CID 80868519
2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 123733519
1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide
CID 80843144
2-imidazol-1-ylquinazoline-4-carboxamide
CID 172628387
2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 173096124
6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid
CID 168879393
3-amino-4-imidazol-1-ylbenzamide
CID 43448488
2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 175877318
2-imidazol-1-ylpyrimidine-4,5-diamine
CID 10080896
2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine
CID 175240434
2-[4-[hydroxy(methyl)boranyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetic acid
CID 153438178

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-ylpyrimidine-4-carboxamide (CID 141444759) is 2-imidazol-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-ylpyrimidine-4-carboxamide is NC(=O)c1ccnc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-ylpyrimidine-4-carboxamide?
The InChIKey is RFPBOHPQKCIPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c9-7(14)6-1-2-11-8(12-6)13-4-3-10-5-13/h1-5H,(H2,9,14).
What are the key properties of 2-imidazol-1-ylpyrimidine-4-carboxamide?
2-imidazol-1-ylpyrimidine-4-carboxamide has a molecular weight of 189.18 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 141444759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).