5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

C18H21N3O2S — CID 125136023

IUPAC5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc([C@H]2CCCN2Cc2nc3sc(C)c(C)c3c(=O)[nH]2)o1
InChIInChI=1S/C18H21N3O2S/c1-10-6-7-14(23-10)13-5-4-8-21(13)9-15-19-17(22)16-11(2)12(3)24-18(16)20-15/h6-7,13H,4-5,8-9H2,1-3H3,(H,19,20,22)/t13-/m1/s1
InChIKeySEMCMYRXIHHKPJ-CYBMUJFWSA-N
MW343.45 g/mol
LogP3.84
Rot. Bonds3

About 5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 125136023) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID125136023
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc([C@H]2CCCN2Cc2nc3sc(C)c(C)c3c(=O)[nH]2)o1
InChIInChI=1S/C18H21N3O2S/c1-10-6-7-14(23-10)13-5-4-8-21(13)9-15-19-17(22)16-11(2)12(3)24-18(16)20-15/h6-7,13H,4-5,8-9H2,1-3H3,(H,19,20,22)/t13-/m1/s1
InChIKeySEMCMYRXIHHKPJ-CYBMUJFWSA-N
XLogP3.84
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2368549
1,3-dimethyl-8-[[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-7H-purine-2,6-dione
CID 122137214
2-[(4-hydroxypiperidin-1-yl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 60641650
6-acetyl-5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 24714818
methyl 5-methyl-4-oxo-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 8586182
5,6-dimethyl-2-[(3-methylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 65447500
2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125130491
2-[[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 9023267
2-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47993878
2-(1,4-diazepan-1-ylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 43156208
5-(5-methylthiophen-2-yl)-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 8784675
5,6-dimethyl-2-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 167908396

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 125136023) is 5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one is Cc1ccc([C@H]2CCCN2Cc2nc3sc(C)c(C)c3c(=O)[nH]2)o1.
What is the InChIKey of 5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is SEMCMYRXIHHKPJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-10-6-7-14(23-10)13-5-4-8-21(13)9-15-19-17(22)16-11(2)12(3)24-18(16)20-15/h6-7,13H,4-5,8-9H2,1-3H3,(H,19,20,22)/t13-/m1/s1.
What are the key properties of 5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 343.45 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 125136023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).