2-(cyclohexylmethylamino)-3-methyl-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-one

C18H21N3OS2 — CID 46943510

IUPAC2-(cyclohexylmethylamino)-3-methyl-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-one
SMILESCn1c(NCC2CCCCC2)nc2cc(-c3ccsc3)sc2c1=O
InChIInChI=1S/C18H21N3OS2/c1-21-17(22)16-14(9-15(24-16)13-7-8-23-11-13)20-18(21)19-10-12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,19,20)
InChIKeyXEQBLLUGQHCLJO-UHFFFAOYSA-N
MW359.52 g/mol
LogP4.72
Rot. Bonds4

About 2-(cyclohexylmethylamino)-3-methyl-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-one

2-(cyclohexylmethylamino)-3-methyl-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-one (PubChem CID 46943510) has the molecular formula C18H21N3OS2 and a molecular weight of 359.52 g/mol. Its IUPAC name is 2-(cyclohexylmethylamino)-3-methyl-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclohexylmethylamino)-3-methyl-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-one
PubChem CID46943510
Molecular FormulaC18H21N3OS2
Molecular Weight359.52 g/mol
Exact Mass359.11
IUPAC Name2-(cyclohexylmethylamino)-3-methyl-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-one
SMILESCn1c(NCC2CCCCC2)nc2cc(-c3ccsc3)sc2c1=O
InChIInChI=1S/C18H21N3OS2/c1-21-17(22)16-14(9-15(24-16)13-7-8-23-11-13)20-18(21)19-10-12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,19,20)
InChIKeyXEQBLLUGQHCLJO-UHFFFAOYSA-N
XLogP4.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135468292
N-benzyl-2-{[4-oxo-3-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]thio}acetamide
CID 6620479
2-(tert-butylamino)-6-(p-tolyl)-3H-thieno[3,2-d]pyrimidin-4-one hydrochloride
CID 136242967
2-(tert-butylamino)-6-(p-tolyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136242968
6-(4-fluorophenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135463111
2-[(3-Butyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 4208316
N-[2-(4-oxo-6-phenyl-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylethyl]acetamide
CID 9106442
N-isopropyl-3-[2-[(3-methylbenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]propanamide
CID 16008875
N-(4-methylbenzyl)-1-(4-oxo-4H-thieno[3,2-d][1,3]thiazin-2-yl)piperidine-3-carboxamide
CID 16194015
2-[3-(Dimethylamino)propylamino]-3-methyl-6-(4-methylthiophen-3-yl)thieno[3,2-d]pyrimidin-4-one
CID 46942401
2-[3-(Dimethylamino)propylamino]-6-(5-fluoro-2-methylphenyl)-3-methylthieno[3,2-d]pyrimidin-4-one
CID 49786602
2-[(2-Fluorophenyl)methylamino]-3-methyl-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-one
CID 49786852

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylamino)-3-methyl-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclohexylmethylamino)-3-methyl-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-one (CID 46943510) is 2-(cyclohexylmethylamino)-3-methyl-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclohexylmethylamino)-3-methyl-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclohexylmethylamino)-3-methyl-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-one is Cn1c(NCC2CCCCC2)nc2cc(-c3ccsc3)sc2c1=O.
What is the InChIKey of 2-(cyclohexylmethylamino)-3-methyl-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is XEQBLLUGQHCLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS2/c1-21-17(22)16-14(9-15(24-16)13-7-8-23-11-13)20-18(21)19-10-12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,19,20).
What are the key properties of 2-(cyclohexylmethylamino)-3-methyl-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-one?
2-(cyclohexylmethylamino)-3-methyl-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 359.52 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylamino)-3-methyl-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 46943510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).