(4R)-N-cyclopropyl-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

C18H21N5O2S — CID 95204560

IUPAC(4R)-N-cyclopropyl-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(Cc2ccsc2)C2CC2)[C@H](c2nc[nH]c2C)NC(=O)N1
InChIInChI=1S/C18H21N5O2S/c1-10-14(16(22-18(25)21-10)15-11(2)19-9-20-15)17(24)23(13-3-4-13)7-12-5-6-26-8-12/h5-6,8-9,13,16H,3-4,7H2,1-2H3,(H,19,20)(H2,21,22,25)/t16-/m1/s1
InChIKeyAXCCCUNCWPHBND-MRXNPFEDSA-N
MW371.47 g/mol
LogP2.60
Rot. Bonds5

About (4R)-N-cyclopropyl-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-N-cyclopropyl-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 95204560) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is (4R)-N-cyclopropyl-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-N-cyclopropyl-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID95204560
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name(4R)-N-cyclopropyl-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(Cc2ccsc2)C2CC2)[C@H](c2nc[nH]c2C)NC(=O)N1
InChIInChI=1S/C18H21N5O2S/c1-10-14(16(22-18(25)21-10)15-11(2)19-9-20-15)17(24)23(13-3-4-13)7-12-5-6-26-8-12/h5-6,8-9,13,16H,3-4,7H2,1-2H3,(H,19,20)(H2,21,22,25)/t16-/m1/s1
InChIKeyAXCCCUNCWPHBND-MRXNPFEDSA-N
XLogP2.60
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4R)-N-cyclopropyl-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)benzamide
CID 51055390
N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 55165151
N-cyclopropyl-6-oxo-N-(thiophen-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61167773
4-amino-N-cyclopropyl-6-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 81240954
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 71936534
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
N-cyclopropyl-2-(dimethylamino)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 51095237
3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61435483
N-cyclopropyl-2-oxo-N-(thiophen-3-ylmethyl)imidazolidine-1-carboxamide
CID 72717905
2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62508692
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167

Frequently Asked Questions

What is the IUPAC name of (4R)-N-cyclopropyl-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-N-cyclopropyl-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 95204560) is (4R)-N-cyclopropyl-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-N-cyclopropyl-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-N-cyclopropyl-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)N(Cc2ccsc2)C2CC2)[C@H](c2nc[nH]c2C)NC(=O)N1.
What is the InChIKey of (4R)-N-cyclopropyl-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is AXCCCUNCWPHBND-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-10-14(16(22-18(25)21-10)15-11(2)19-9-20-15)17(24)23(13-3-4-13)7-12-5-6-26-8-12/h5-6,8-9,13,16H,3-4,7H2,1-2H3,(H,19,20)(H2,21,22,25)/t16-/m1/s1.
What are the key properties of (4R)-N-cyclopropyl-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-N-cyclopropyl-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-cyclopropyl-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95204560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).