N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

C17H17N5O2S — CID 70776573

IUPACN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESCSc1ncc(CNC(=O)c2cnc(-c3ccccc3)[nH]c2=O)n1C
InChIInChI=1S/C17H17N5O2S/c1-22-12(9-20-17(22)25-2)8-19-15(23)13-10-18-14(21-16(13)24)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,23)(H,18,21,24)
InChIKeyGATBMDBDRMMQPQ-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.82
Rot. Bonds5

About N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 70776573) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID70776573
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESCSc1ncc(CNC(=O)c2cnc(-c3ccccc3)[nH]c2=O)n1C
InChIInChI=1S/C17H17N5O2S/c1-22-12(9-20-17(22)25-2)8-19-15(23)13-10-18-14(21-16(13)24)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,23)(H,18,21,24)
InChIKeyGATBMDBDRMMQPQ-UHFFFAOYSA-N
XLogP1.82
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72873740
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131943923
N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70725726
N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70704975
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72866318
6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide
CID 70724558
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56900513
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide
CID 72918065
5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide
CID 131940296
N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648612
5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
CID 92648681
3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide
CID 91765313

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (CID 70776573) is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is CSc1ncc(CNC(=O)c2cnc(-c3ccccc3)[nH]c2=O)n1C.
What is the InChIKey of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is GATBMDBDRMMQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-22-12(9-20-17(22)25-2)8-19-15(23)13-10-18-14(21-16(13)24)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,23)(H,18,21,24).
What are the key properties of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70776573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).