(4-methylpiperazin-1-yl)-(1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone

C16H21N5OS — CID 47807285

IUPAC(4-methylpiperazin-1-yl)-(1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
SMILESCN1CCN(C(=O)C2CCCN2c2ncnc3ccsc23)CC1
InChIInChI=1S/C16H21N5OS/c1-19-6-8-20(9-7-19)16(22)13-3-2-5-21(13)15-14-12(4-10-23-14)17-11-18-15/h4,10-11,13H,2-3,5-9H2,1H3
InChIKeyJBFNHZGQKRWNMA-UHFFFAOYSA-N
MW331.44 g/mol
LogP1.43
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone

(4-methylpiperazin-1-yl)-(1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone (PubChem CID 47807285) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
PubChem CID47807285
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name(4-methylpiperazin-1-yl)-(1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
SMILESCN1CCN(C(=O)C2CCCN2c2ncnc3ccsc23)CC1
InChIInChI=1S/C16H21N5OS/c1-19-6-8-20(9-7-19)16(22)13-3-2-5-21(13)15-14-12(4-10-23-14)17-11-18-15/h4,10-11,13H,2-3,5-9H2,1H3
InChIKeyJBFNHZGQKRWNMA-UHFFFAOYSA-N
XLogP1.43
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Piperazin-1-yl)thieno[3,2-d]pyrimidine
CID 2760428
(S)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25230181
(+/-)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25231166
{2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-pyrrolidin-1-yl-methanone
CID 25231168
4-[4-(2-Acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654840
4-(4-(2-Pivalamidoethyl)piperazin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654910
4-[4-(Pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654912
4-[4-(2-Pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654913
4-[4-(2-Pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71654914
2-N-[2-[4-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-5-N-ethylthiophene-2,5-dicarboxamide
CID 71655062
(S)-1-ethyl-3-(1-(4-(thiophen-2-yl)pyrimidin-2-yl)piperidin-3-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 54581236
[2-(7-Methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 91800754

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone (CID 47807285) is (4-methylpiperazin-1-yl)-(1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone is CN1CCN(C(=O)C2CCCN2c2ncnc3ccsc23)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone?
The InChIKey is JBFNHZGQKRWNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-19-6-8-20(9-7-19)16(22)13-3-2-5-21(13)15-14-12(4-10-23-14)17-11-18-15/h4,10-11,13H,2-3,5-9H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone?
(4-methylpiperazin-1-yl)-(1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone has a molecular weight of 331.44 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 47807285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).