N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide

C9H9N5O — CID 104628370

IUPACN-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ncc[nH]1)c1cncnc1
InChIInChI=1S/C9H9N5O/c15-9(7-3-10-6-11-4-7)14-5-8-12-1-2-13-8/h1-4,6H,5H2,(H,12,13)(H,14,15)
InChIKeyNJRBFSDKVHHEIV-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.13
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide

N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 104628370) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID104628370
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC NameN-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ncc[nH]1)c1cncnc1
InChIInChI=1S/C9H9N5O/c15-9(7-3-10-6-11-4-7)14-5-8-12-1-2-13-8/h1-4,6H,5H2,(H,12,13)(H,14,15)
InChIKeyNJRBFSDKVHHEIV-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

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Related Compounds

6-amino-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide
CID 64525972
4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 82832444
N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CID 22665591
N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 64523208
5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide
CID 131107437
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide
CID 104628648
3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 64519520
N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide
CID 105063994
3-(N'-hydroxycarbamimidoyl)-N-(1H-imidazol-2-ylmethyl)benzamide
CID 77046331
5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)pyridine-2-carboxamide
CID 64525937
3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 113347486

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide (CID 104628370) is N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide is O=C(NCc1ncc[nH]1)c1cncnc1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is NJRBFSDKVHHEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c15-9(7-3-10-6-11-4-7)14-5-8-12-1-2-13-8/h1-4,6H,5H2,(H,12,13)(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide?
N-(1H-imidazol-2-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-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 104628370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).