1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone

C14H17N3OS — CID 135109399

IUPAC1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NC(C)Cc2ccsc2)nc1C
InChIInChI=1S/C14H17N3OS/c1-9(6-12-4-5-19-8-12)16-14-15-7-13(11(3)18)10(2)17-14/h4-5,7-9H,6H2,1-3H3,(H,15,16,17)
InChIKeyGHTCZIGKINEQOG-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.09
Rot. Bonds5

About 1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone

1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone (PubChem CID 135109399) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone
PubChem CID135109399
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NC(C)Cc2ccsc2)nc1C
InChIInChI=1S/C14H17N3OS/c1-9(6-12-4-5-19-8-12)16-14-15-7-13(11(3)18)10(2)17-14/h4-5,7-9H,6H2,1-3H3,(H,15,16,17)
InChIKeyGHTCZIGKINEQOG-UHFFFAOYSA-N
XLogP3.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-thiophen-3-ylpropan-2-yl)quinazolin-2-amine
CID 114788976
4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine
CID 112686316
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558
5-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 62516052
5,6-dimethyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyridazine-4-carboxylic acid
CID 62711856
5-fluoro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 61474267
5-(1-thiophen-3-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 64630914
2-methyl-5-methylsulfonyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrimidin-4-amine
CID 97204672
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61151193
6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile
CID 47357833
4-hydrazinyl-6-propoxy-N-(1-thiophen-3-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 80901076

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone (CID 135109399) is 1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone is CC(=O)c1cnc(NC(C)Cc2ccsc2)nc1C.
What is the InChIKey of 1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone?
The InChIKey is GHTCZIGKINEQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(6-12-4-5-19-8-12)16-14-15-7-13(11(3)18)10(2)17-14/h4-5,7-9H,6H2,1-3H3,(H,15,16,17).
What are the key properties of 1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone?
1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone has a molecular weight of 275.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 135109399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).