(5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone

C16H21N5OS — CID 39162441

IUPAC(5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone
SMILESCc1c(C(=O)N2CCNCC2)sc2ncnc(N3CCCC3)c12
InChIInChI=1S/C16H21N5OS/c1-11-12-14(20-6-2-3-7-20)18-10-19-15(12)23-13(11)16(22)21-8-4-17-5-9-21/h10,17H,2-9H2,1H3
InChIKeyWLTZLYJEQOOJFT-UHFFFAOYSA-N
MW331.44 g/mol
LogP1.65
Rot. Bonds2

About (5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone

(5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone (PubChem CID 39162441) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is (5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone
PubChem CID39162441
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name(5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone
SMILESCc1c(C(=O)N2CCNCC2)sc2ncnc(N3CCCC3)c12
InChIInChI=1S/C16H21N5OS/c1-11-12-14(20-6-2-3-7-20)18-10-19-15(12)23-13(11)16(22)21-8-4-17-5-9-21/h10,17H,2-9H2,1H3
InChIKeyWLTZLYJEQOOJFT-UHFFFAOYSA-N
XLogP1.65
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone
CID 31043286
(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 4093269
[5-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 5236670
azepan-1-yl-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 6617227
[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46344660
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[4-(azocan-1-yl)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 98282203
(4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 46344644
1,4-diazepan-1-yl-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone;hydrochloride
CID 119417339
4-(azepan-1-yl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 22585772
4-(1,4-diazepan-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 18526382
[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 4154221
[4-(4-fluorophenyl)piperazin-1-yl]-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 4643423

Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone?
The IUPAC name of (5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone (CID 39162441) is (5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone is Cc1c(C(=O)N2CCNCC2)sc2ncnc(N3CCCC3)c12.
What is the InChIKey of (5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone?
The InChIKey is WLTZLYJEQOOJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-11-12-14(20-6-2-3-7-20)18-10-19-15(12)23-13(11)16(22)21-8-4-17-5-9-21/h10,17H,2-9H2,1H3.
What are the key properties of (5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone?
(5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone has a molecular weight of 331.44 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 39162441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).