(4S)-4,6-dimethyl-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

C15H17N5O2S — CID 95197648

IUPAC(4S)-4,6-dimethyl-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCc2cn[nH]c2-c2cccs2)[C@H](C)NC(=O)N1
InChIInChI=1S/C15H17N5O2S/c1-8-12(9(2)19-15(22)18-8)14(21)16-6-10-7-17-20-13(10)11-4-3-5-23-11/h3-5,7-8H,6H2,1-2H3,(H,16,21)(H,17,20)(H2,18,19,22)/t8-/m0/s1
InChIKeyHGMSSDHOCLEZBK-QMMMGPOBSA-N
MW331.40 g/mol
LogP1.73
Rot. Bonds4

About (4S)-4,6-dimethyl-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4S)-4,6-dimethyl-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 95197648) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is (4S)-4,6-dimethyl-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4S)-4,6-dimethyl-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID95197648
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name(4S)-4,6-dimethyl-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCc2cn[nH]c2-c2cccs2)[C@H](C)NC(=O)N1
InChIInChI=1S/C15H17N5O2S/c1-8-12(9(2)19-15(22)18-8)14(21)16-6-10-7-17-20-13(10)11-4-3-5-23-11/h3-5,7-8H,6H2,1-2H3,(H,16,21)(H,17,20)(H2,18,19,22)/t8-/m0/s1
InChIKeyHGMSSDHOCLEZBK-QMMMGPOBSA-N
XLogP1.73
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (4S)-4,6-dimethyl-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115575837
2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanoic acid
CID 54959684
3-methyl-4-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]quinazoline-7-carboxamide
CID 77079483
N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
CID 103724288
N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 54950520
7-fluoro-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-quinoline-4-carboxamide
CID 74244214
4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56720584
(2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 95205075
3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 64733627
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide
CID 50973484
5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 71824121
4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]butanamide
CID 60863763

Frequently Asked Questions

What is the IUPAC name of (4S)-4,6-dimethyl-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4S)-4,6-dimethyl-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 95197648) is (4S)-4,6-dimethyl-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4S)-4,6-dimethyl-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4S)-4,6-dimethyl-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)NCc2cn[nH]c2-c2cccs2)[C@H](C)NC(=O)N1.
What is the InChIKey of (4S)-4,6-dimethyl-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is HGMSSDHOCLEZBK-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-8-12(9(2)19-15(22)18-8)14(21)16-6-10-7-17-20-13(10)11-4-3-5-23-11/h3-5,7-8H,6H2,1-2H3,(H,16,21)(H,17,20)(H2,18,19,22)/t8-/m0/s1.
What are the key properties of (4S)-4,6-dimethyl-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4S)-4,6-dimethyl-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,6-dimethyl-2-oxo-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95197648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).