3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide

C19H19N3O2S — CID 51273228

IUPAC3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2(c3ccccc3)CCC2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C19H19N3O2S/c1-12-14-17(20-11-22(2)18(14)24)25-15(12)16(23)21-19(9-6-10-19)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,21,23)
InChIKeyMFHZQPLTNAHSAQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.11
Rot. Bonds3

About 3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide

3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 51273228) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID51273228
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2(c3ccccc3)CCC2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C19H19N3O2S/c1-12-14-17(20-11-22(2)18(14)24)25-15(12)16(23)21-19(9-6-10-19)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,21,23)
InChIKeyMFHZQPLTNAHSAQ-UHFFFAOYSA-N
XLogP3.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-oxo-N-(2-phenylpyrimidin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 134009535
3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 18106835
N-(2-anilino-2-oxo-1-phenylethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55779226
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 15999563
3,5-dimethyl-4-oxo-N-(9H-xanthen-9-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 56547416
3,5-dimethyl-4-oxo-N-(3-phenylsulfanylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 38569766
S-[2-[(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56576564
N-(1,3-diphenylpropyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55810563
N-[2-(dimethylcarbamoyl)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55613008
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 78830499
3,5-dimethyl-4-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 38197107
N-(3-chlorophenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23828047

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 51273228) is 3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NC2(c3ccccc3)CCC2)sc2ncn(C)c(=O)c12.
What is the InChIKey of 3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MFHZQPLTNAHSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-14-17(20-11-22(2)18(14)24)25-15(12)16(23)21-19(9-6-10-19)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,21,23).
What are the key properties of 3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide?
3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 51273228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).