2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine

C19H21N3S — CID 4083738

IUPAC2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(Cc3ccccc3)nc(N3CCCC3)c2c1C
InChIInChI=1S/C19H21N3S/c1-13-14(2)23-19-17(13)18(22-10-6-7-11-22)20-16(21-19)12-15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12H2,1-2H3
InChIKeyKJYKOGWCHDUYHG-UHFFFAOYSA-N
MW323.46 g/mol
LogP4.50
Rot. Bonds3

About 2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine

2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 4083738) has the molecular formula C19H21N3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
PubChem CID4083738
Molecular FormulaC19H21N3S
Molecular Weight323.46 g/mol
Exact Mass323.15
IUPAC Name2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(Cc3ccccc3)nc(N3CCCC3)c2c1C
InChIInChI=1S/C19H21N3S/c1-13-14(2)23-19-17(13)18(22-10-6-7-11-22)20-16(21-19)12-15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12H2,1-2H3
InChIKeyKJYKOGWCHDUYHG-UHFFFAOYSA-N
XLogP4.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 91964710
4-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-cyclohexylpiperazine-1-carboxamide
CID 42799948
4-(azepan-1-yl)-2-benzyl-6-methylthieno[2,3-d]pyrimidine
CID 91965066
2-benzyl-6-isocyano-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 58727444
4-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-chlorophenyl)piperazine-1-carbothioamide
CID 3212873
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 133274015
2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 91964645
5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-4-(4-thiophen-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 167753965
4-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42799949
2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 91964847
2-benzyl-N-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964687
4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine
CID 9211428

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine (CID 4083738) is 2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine is Cc1sc2nc(Cc3ccccc3)nc(N3CCCC3)c2c1C.
What is the InChIKey of 2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is KJYKOGWCHDUYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-13-14(2)23-19-17(13)18(22-10-6-7-11-22)20-16(21-19)12-15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12H2,1-2H3.
What are the key properties of 2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine?
2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 323.46 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 4083738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).