N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide

C9H9N5O — CID 104628648

IUPACN-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1cnc[nH]1)c1cncnc1
InChIInChI=1S/C9H9N5O/c15-9(7-1-10-5-11-2-7)13-4-8-3-12-6-14-8/h1-3,5-6H,4H2,(H,12,14)(H,13,15)
InChIKeyIXTAIZRMCCUQAQ-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.13
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide

N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 104628648) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide
PubChem CID104628648
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC NameN-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1cnc[nH]1)c1cncnc1
InChIInChI=1S/C9H9N5O/c15-9(7-1-10-5-11-2-7)13-4-8-3-12-6-14-8/h1-3,5-6H,4H2,(H,12,14)(H,13,15)
InChIKeyIXTAIZRMCCUQAQ-UHFFFAOYSA-N
XLogP0.13
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide
CID 103755502
3-bromo-4-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide
CID 103725236
N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide
CID 113258424
6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide
CID 106551379
N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide
CID 104628370
4-amino-N-(1H-imidazol-5-ylmethyl)-3-methoxybenzamide
CID 104783039
N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 103725235
N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CID 22665591
3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide
CID 80641974
N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79883820
2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide
CID 82815562
2-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-4,4-dimethylpentanamide
CID 107472326

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide (CID 104628648) is N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide is O=C(NCc1cnc[nH]1)c1cncnc1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is IXTAIZRMCCUQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c15-9(7-1-10-5-11-2-7)13-4-8-3-12-6-14-8/h1-3,5-6H,4H2,(H,12,14)(H,13,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide?
N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 203.21 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 104628648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).