3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one

C20H22N4O2S — CID 37333604

IUPAC3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C20H22N4O2S/c1-13-16-18(21-12-23(3)19(16)25)27-17(13)20(26)24-10-9-22(2)11-15(24)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3/t15-/m1/s1
InChIKeyCUGDDUOETIXJJY-OAHLLOKOSA-N
MW382.49 g/mol
LogP2.43
Rot. Bonds2

About 3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one

3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 37333604) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID37333604
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C20H22N4O2S/c1-13-16-18(21-12-23(3)19(16)25)27-17(13)20(26)24-10-9-22(2)11-15(24)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3/t15-/m1/s1
InChIKeyCUGDDUOETIXJJY-OAHLLOKOSA-N
XLogP2.43
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37334279
6-(4-benzylpiperidine-1-carbonyl)-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 23825059
6-(3,5-dimethylpiperidine-1-carbonyl)-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 4085132
6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 125011996
3,5-dimethyl-6-[(2R)-2-methylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one
CID 124570648
3,5-dimethyl-6-(2-methylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 119470974
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
3,5-dimethyl-4-oxo-N-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 87037721
(4-methyl-2-phenylpiperazin-1-yl)-pyrazin-2-ylmethanone
CID 51251944
6-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 37006738
6-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 46987280
6-[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 110120963

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one (CID 37333604) is 3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one is Cc1c(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)sc2ncn(C)c(=O)c12.
What is the InChIKey of 3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is CUGDDUOETIXJJY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-13-16-18(21-12-23(3)19(16)25)27-17(13)20(26)24-10-9-22(2)11-15(24)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3/t15-/m1/s1.
What are the key properties of 3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one?
3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 382.49 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 37333604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).