N-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C20H23N3O3S — CID 91652184

IUPACN-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCC(Cc1ccccc1)N(C)C(=O)c1sc2ncn(C)c(=O)c2c1C
InChIInChI=1S/C20H23N3O3S/c1-13-16-18(21-12-22(2)19(16)24)27-17(13)20(25)23(3)15(11-26-4)10-14-8-6-5-7-9-14/h5-9,12,15H,10-11H2,1-4H3
InChIKeyBHEMBUUXGZQHMP-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.63
Rot. Bonds6

About N-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 91652184) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID91652184
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCC(Cc1ccccc1)N(C)C(=O)c1sc2ncn(C)c(=O)c2c1C
InChIInChI=1S/C20H23N3O3S/c1-13-16-18(21-12-22(2)19(16)24)27-17(13)20(25)23(3)15(11-26-4)10-14-8-6-5-7-9-14/h5-9,12,15H,10-11H2,1-4H3
InChIKeyBHEMBUUXGZQHMP-UHFFFAOYSA-N
XLogP2.63
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31236285
3,5-dimethyl-4-oxo-N-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 87037721
N-[(2R)-3,3-dimethylbutan-2-yl]-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 38623842
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 18092564
(3-methoxyphenyl)methyl 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 18168624
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55413345
ethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55478351
N,3,5-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 47000139
N-(1,3-diphenylpropyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55810563
3,5-dimethyl-4-oxo-N-(3-phenylsulfanylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 38569766
N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31848326
N,3,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31151904

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 91652184) is N-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is COCC(Cc1ccccc1)N(C)C(=O)c1sc2ncn(C)c(=O)c2c1C.
What is the InChIKey of N-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BHEMBUUXGZQHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13-16-18(21-12-22(2)19(16)24)27-17(13)20(25)23(3)15(11-26-4)10-14-8-6-5-7-9-14/h5-9,12,15H,10-11H2,1-4H3.
What are the key properties of N-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 91652184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).