2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide

C15H19N3O2S — CID 74238284

IUPAC2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCC(CO)Cc2ccsc2)cn1
InChIInChI=1S/C15H19N3O2S/c1-2-14-16-7-13(8-17-14)15(20)18-6-12(9-19)5-11-3-4-21-10-11/h3-4,7-8,10,12,19H,2,5-6,9H2,1H3,(H,18,20)
InChIKeyRMNVEAJUGSQGCR-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.68
Rot. Bonds7

About 2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide

2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide (PubChem CID 74238284) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide
PubChem CID74238284
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCC(CO)Cc2ccsc2)cn1
InChIInChI=1S/C15H19N3O2S/c1-2-14-16-7-13(8-17-14)15(20)18-6-12(9-19)5-11-3-4-21-10-11/h3-4,7-8,10,12,19H,2,5-6,9H2,1H3,(H,18,20)
InChIKeyRMNVEAJUGSQGCR-UHFFFAOYSA-N
XLogP1.68
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 99960412
N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide
CID 125447855
3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide
CID 118789146
N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide
CID 126816815
N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 97445497
N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide
CID 70769503
2-(thiophen-3-ylmethyl)butan-1-ol
CID 21301482
1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide
CID 98350764
N-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide
CID 95127765
2-cyclopropyl-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]pyrimidine-5-carboxamide
CID 74246897
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide
CID 77082890
3-(2-ethylbutyl)thiophene
CID 89133993

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide (CID 74238284) is 2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide is CCc1ncc(C(=O)NCC(CO)Cc2ccsc2)cn1.
What is the InChIKey of 2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide?
The InChIKey is RMNVEAJUGSQGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-14-16-7-13(8-17-14)15(20)18-6-12(9-19)5-11-3-4-21-10-11/h3-4,7-8,10,12,19H,2,5-6,9H2,1H3,(H,18,20).
What are the key properties of 2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide?
2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 74238284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).