N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide

C16H15N5O — CID 50954561

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H15N5O/c1-21(11-14-17-7-8-18-14)16(22)13-9-19-15(20-10-13)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18)
InChIKeyYJQKZZPADHEJEL-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.14
Rot. Bonds4

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

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide (PubChem CID 50954561) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide
PubChem CID50954561
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H15N5O/c1-21(11-14-17-7-8-18-14)16(22)13-9-19-15(20-10-13)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18)
InChIKeyYJQKZZPADHEJEL-UHFFFAOYSA-N
XLogP2.14
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 64519117
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 63928491
N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide
CID 63930568
N-(1H-imidazol-2-ylmethyl)-N-methylnaphthalene-1-carboxamide
CID 63928694
3-(dimethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63928901
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide
CID 63939451
phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate
CID 63939472
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110
N-(1H-imidazol-2-ylmethyl)-N-methylquinoline-2-carboxamide
CID 63930575

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide (CID 50954561) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide is CN(Cc1ncc[nH]1)C(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide?
The InChIKey is YJQKZZPADHEJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-21(11-14-17-7-8-18-14)16(22)13-9-19-15(20-10-13)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 50954561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).