3,5-dimethyl-6-[(2R)-2-methylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one

C14H18N4O2S — CID 124570648

IUPAC3,5-dimethyl-6-[(2R)-2-methylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCNC[C@H]2C)sc2ncn(C)c(=O)c12
InChIInChI=1S/C14H18N4O2S/c1-8-6-15-4-5-18(8)14(20)11-9(2)10-12(21-11)16-7-17(3)13(10)19/h7-8,15H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyKCDMBAVNPCFUIE-MRVPVSSYSA-N
MW306.39 g/mol
LogP0.74
Rot. Bonds1

About 3,5-dimethyl-6-[(2R)-2-methylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one

3,5-dimethyl-6-[(2R)-2-methylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 124570648) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3,5-dimethyl-6-[(2R)-2-methylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-6-[(2R)-2-methylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID124570648
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3,5-dimethyl-6-[(2R)-2-methylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCNC[C@H]2C)sc2ncn(C)c(=O)c12
InChIInChI=1S/C14H18N4O2S/c1-8-6-15-4-5-18(8)14(20)11-9(2)10-12(21-11)16-7-17(3)13(10)19/h7-8,15H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyKCDMBAVNPCFUIE-MRVPVSSYSA-N
XLogP0.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-6-(2-methylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 119470974
6-(3,5-dimethylpiperidine-1-carbonyl)-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 4085132
3,5-dimethyl-6-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one
CID 37333604
(2-methylpiperazin-1-yl)-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 119473358
6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 51229450
6-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 55657281
(2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 119473571
3,5-dimethyl-6-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 136930439
N-cyclohexyl-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23960515
6-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 37006738
(5-fluoro-3-methyl-1-benzothiophen-2-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470846
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866771

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6-[(2R)-2-methylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3,5-dimethyl-6-[(2R)-2-methylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one (CID 124570648) is 3,5-dimethyl-6-[(2R)-2-methylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3,5-dimethyl-6-[(2R)-2-methylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3,5-dimethyl-6-[(2R)-2-methylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one is Cc1c(C(=O)N2CCNC[C@H]2C)sc2ncn(C)c(=O)c12.
What is the InChIKey of 3,5-dimethyl-6-[(2R)-2-methylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is KCDMBAVNPCFUIE-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-8-6-15-4-5-18(8)14(20)11-9(2)10-12(21-11)16-7-17(3)13(10)19/h7-8,15H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of 3,5-dimethyl-6-[(2R)-2-methylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one?
3,5-dimethyl-6-[(2R)-2-methylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 306.39 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6-[(2R)-2-methylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 124570648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).