[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate

C18H25N3O4S — CID 18092585

IUPAC[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1c(C(=O)OC(C)C(=O)N(C(C)C)C(C)C)sc2ncn(C)c(=O)c12
InChIInChI=1S/C18H25N3O4S/c1-9(2)21(10(3)4)16(22)12(6)25-18(24)14-11(5)13-15(26-14)19-8-20(7)17(13)23/h8-10,12H,1-7H3
InChIKeyASQYVVQFNSWJJS-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.49
Rot. Bonds5

About [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate

[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 18092585) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID18092585
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1c(C(=O)OC(C)C(=O)N(C(C)C)C(C)C)sc2ncn(C)c(=O)c12
InChIInChI=1S/C18H25N3O4S/c1-9(2)21(10(3)4)16(22)12(6)25-18(24)14-11(5)13-15(26-14)19-8-20(7)17(13)23/h8-10,12H,1-7H3
InChIKeyASQYVVQFNSWJJS-UHFFFAOYSA-N
XLogP2.49
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

[1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 55424461
3,5-dimethyl-4-oxo-N-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 87037721
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 55424379
N-[(2R)-3,3-dimethylbutan-2-yl]-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 38623842
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 18092573
propan-2-yl 5-methyl-3-(2-methylpropyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 733591
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 18092564
N-cyclohexyl-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23960515
(3-methyl-1,2-oxazol-5-yl)methyl 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 18100063
3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 100671445
6-(3,5-dimethylpiperidine-1-carbonyl)-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 4085132
N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31848326

Frequently Asked Questions

What is the IUPAC name of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate (CID 18092585) is [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is Cc1c(C(=O)OC(C)C(=O)N(C(C)C)C(C)C)sc2ncn(C)c(=O)c12.
What is the InChIKey of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is ASQYVVQFNSWJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-9(2)21(10(3)4)16(22)12(6)25-18(24)14-11(5)13-15(26-14)19-8-20(7)17(13)23/h8-10,12H,1-7H3.
What are the key properties of [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 379.48 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 18092585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).