5,6-dimethyl-2-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

C22H30N6O2S — CID 75493246

IUPAC5,6-dimethyl-2-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1
InChIInChI=1S/C22H30N6O2S/c1-13-16(4)31-22-20(13)21(30)23-18(24-22)12-27-8-10-28(11-9-27)19(29)7-6-17-14(2)25-26(5)15(17)3/h6-12H2,1-5H3,(H,23,24,30)
InChIKeyFMNWFUKQLLVAPV-UHFFFAOYSA-N
MW442.59 g/mol
LogP2.23
Rot. Bonds5

About 5,6-dimethyl-2-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-2-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 75493246) has the molecular formula C22H30N6O2S and a molecular weight of 442.59 g/mol. Its IUPAC name is 5,6-dimethyl-2-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID75493246
Molecular FormulaC22H30N6O2S
Molecular Weight442.59 g/mol
Exact Mass442.22
IUPAC Name5,6-dimethyl-2-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1
InChIInChI=1S/C22H30N6O2S/c1-13-16(4)31-22-20(13)21(30)23-18(24-22)12-27-8-10-28(11-9-27)19(29)7-6-17-14(2)25-26(5)15(17)3/h6-12H2,1-5H3,(H,23,24,30)
InChIKeyFMNWFUKQLLVAPV-UHFFFAOYSA-N
XLogP2.23
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-2-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

5,6-dimethyl-2-(3-oxo-3-piperazin-1-ylpropyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 119400818
5,6-dimethyl-2-[[4-(oxirane-2-carbonyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 154879749
2-[(4-hydroxypiperidin-1-yl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 60641650
2-(1,4-diazepan-1-ylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 43156208
1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 51290076
5,6-dimethyl-2-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 119577132
1-thiomorpholin-4-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 71688984
2-[4-[4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]butyl]isoindole-1,3-dione
CID 30145042
1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 56810666
1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1,4-diazepan-5-one
CID 62045570
5,6-dimethyl-2-[[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 9116225
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 51305771

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-2-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 75493246) is 5,6-dimethyl-2-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-2-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one is Cc1nn(C)c(C)c1CCC(=O)N1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1.
What is the InChIKey of 5,6-dimethyl-2-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is FMNWFUKQLLVAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2S/c1-13-16(4)31-22-20(13)21(30)23-18(24-22)12-27-8-10-28(11-9-27)19(29)7-6-17-14(2)25-26(5)15(17)3/h6-12H2,1-5H3,(H,23,24,30).
What are the key properties of 5,6-dimethyl-2-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-2-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 442.59 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 75493246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).