6-(2-methylpropyl)-2-oxo-N-(1-thiophen-3-ylethyl)-1H-pyrimidine-4-carboxamide

C15H19N3O2S — CID 131918411

IUPAC6-(2-methylpropyl)-2-oxo-N-(1-thiophen-3-ylethyl)-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(C)c2ccsc2)nc(=O)[nH]1
InChIInChI=1S/C15H19N3O2S/c1-9(2)6-12-7-13(18-15(20)17-12)14(19)16-10(3)11-4-5-21-8-11/h4-5,7-10H,6H2,1-3H3,(H,16,19)(H,17,18,20)
InChIKeyNQYNVWCRNTVTHK-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.52
Rot. Bonds5

About 6-(2-methylpropyl)-2-oxo-N-(1-thiophen-3-ylethyl)-1H-pyrimidine-4-carboxamide

6-(2-methylpropyl)-2-oxo-N-(1-thiophen-3-ylethyl)-1H-pyrimidine-4-carboxamide (PubChem CID 131918411) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2-oxo-N-(1-thiophen-3-ylethyl)-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methylpropyl)-2-oxo-N-(1-thiophen-3-ylethyl)-1H-pyrimidine-4-carboxamide
PubChem CID131918411
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name6-(2-methylpropyl)-2-oxo-N-(1-thiophen-3-ylethyl)-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(C)c2ccsc2)nc(=O)[nH]1
InChIInChI=1S/C15H19N3O2S/c1-9(2)6-12-7-13(18-15(20)17-12)14(19)16-10(3)11-4-5-21-8-11/h4-5,7-10H,6H2,1-3H3,(H,16,19)(H,17,18,20)
InChIKeyNQYNVWCRNTVTHK-UHFFFAOYSA-N
XLogP2.52
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 99958370
N-[2-(methylamino)-2-oxo-1-phenylethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 91773250
N-(3-aminopropyl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 90647366
6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
CID 62844800
6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide
CID 62844280
5-hydrazinyl-N-(1-thiophen-3-ylethyl)pyrazine-2-carboxamide
CID 107378186
6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 62845141
4-oxo-N-(1-thiophen-3-ylethyl)-3H-phthalazine-1-carboxamide
CID 62843922
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide
CID 62841807
6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide
CID 156880544
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 55209412

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2-oxo-N-(1-thiophen-3-ylethyl)-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methylpropyl)-2-oxo-N-(1-thiophen-3-ylethyl)-1H-pyrimidine-4-carboxamide (CID 131918411) is 6-(2-methylpropyl)-2-oxo-N-(1-thiophen-3-ylethyl)-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methylpropyl)-2-oxo-N-(1-thiophen-3-ylethyl)-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methylpropyl)-2-oxo-N-(1-thiophen-3-ylethyl)-1H-pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)NC(C)c2ccsc2)nc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-2-oxo-N-(1-thiophen-3-ylethyl)-1H-pyrimidine-4-carboxamide?
The InChIKey is NQYNVWCRNTVTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9(2)6-12-7-13(18-15(20)17-12)14(19)16-10(3)11-4-5-21-8-11/h4-5,7-10H,6H2,1-3H3,(H,16,19)(H,17,18,20).
What are the key properties of 6-(2-methylpropyl)-2-oxo-N-(1-thiophen-3-ylethyl)-1H-pyrimidine-4-carboxamide?
6-(2-methylpropyl)-2-oxo-N-(1-thiophen-3-ylethyl)-1H-pyrimidine-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2-oxo-N-(1-thiophen-3-ylethyl)-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 131918411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).