(3-tert-butyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone

C19H24N2OS — CID 959556

IUPAC(3-tert-butyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone
SMILESCc1sc2c(c1C)CN(C(C)(C)C)CN2C(=O)c1ccccc1
InChIInChI=1S/C19H24N2OS/c1-13-14(2)23-18-16(13)11-20(19(3,4)5)12-21(18)17(22)15-9-7-6-8-10-15/h6-10H,11-12H2,1-5H3
InChIKeySXYXUQICKPCZID-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.58
Rot. Bonds1

About (3-tert-butyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone

(3-tert-butyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone (PubChem CID 959556) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is (3-tert-butyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-tert-butyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone
PubChem CID959556
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name(3-tert-butyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone
SMILESCc1sc2c(c1C)CN(C(C)(C)C)CN2C(=O)c1ccccc1
InChIInChI=1S/C19H24N2OS/c1-13-14(2)23-18-16(13)11-20(19(3,4)5)12-21(18)17(22)15-9-7-6-8-10-15/h6-10H,11-12H2,1-5H3
InChIKeySXYXUQICKPCZID-UHFFFAOYSA-N
XLogP4.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-tert-butyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone with MolForge

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Related Compounds

3-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 812443
3-methyl-1-(2-methylpropyl)-5-(piperidin-1-ylcarbonyl)-6-{[2-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
CID 24825264
1-[[1,2,3,4-Tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]carbonyl]-pyrrolidine
CID 5282546
5-(ethylsulfanyl)-3-methyl-1-(2-methylpropyl)-6-{[2-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
CID 24825250
3-methyl-1-(2-methylpropyl)-5-(propan-2-ylsulfanyl)-6-{[2-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
CID 24825251
5-(cyclopentylsulfanyl)-3-methyl-1-(2-methylpropyl)-6-{[2-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
CID 24825253
5-(cyclohexylsulfanyl)-3-methyl-1-(2-methylpropyl)-6-{[2-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
CID 24825254
5-(azetidin-1-ylcarbonyl)-3-methyl-1-(2-methylpropyl)-6-{[2-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
CID 24825263
N,N,3-trimethyl-1-(2-methylpropyl)-2,4-dioxo-6-{[2-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-5-carboxamide
CID 24825265
3-Hydroxy-5-methyl-1-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 11551001
N,N,3-trimethyl-2,4-dioxo-1-(propan-2-yl)-6-{[2-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-5-carboxamide
CID 16102854
5-(cyclobutylsulfanyl)-3-methyl-1-(2-methylpropyl)-6-{[2-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
CID 24825252

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone?
The IUPAC name of (3-tert-butyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone (CID 959556) is (3-tert-butyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone.
What is the SMILES notation for (3-tert-butyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone?
The canonical SMILES for (3-tert-butyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone is Cc1sc2c(c1C)CN(C(C)(C)C)CN2C(=O)c1ccccc1.
What is the InChIKey of (3-tert-butyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone?
The InChIKey is SXYXUQICKPCZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-13-14(2)23-18-16(13)11-20(19(3,4)5)12-21(18)17(22)15-9-7-6-8-10-15/h6-10H,11-12H2,1-5H3.
What are the key properties of (3-tert-butyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone?
(3-tert-butyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone has a molecular weight of 328.48 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5,6-dimethyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone is sourced from PubChem (CID 959556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).