4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine

C17H26N4S — CID 55824437

IUPAC4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine
SMILESCCN1CCN(c2nc(C)nc3scc(CC(C)C)c23)CC1
InChIInChI=1S/C17H26N4S/c1-5-20-6-8-21(9-7-20)16-15-14(10-12(2)3)11-22-17(15)19-13(4)18-16/h11-12H,5-10H2,1-4H3
InChIKeyYFEAAKBIWIWWKX-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.34
Rot. Bonds4

About 4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine

4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine (PubChem CID 55824437) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine
PubChem CID55824437
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine
SMILESCCN1CCN(c2nc(C)nc3scc(CC(C)C)c23)CC1
InChIInChI=1S/C17H26N4S/c1-5-20-6-8-21(9-7-20)16-15-14(10-12(2)3)11-22-17(15)19-13(4)18-16/h11-12H,5-10H2,1-4H3
InChIKeyYFEAAKBIWIWWKX-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(2-methylpropyl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 55824179
1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 133276681
2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55832510
5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole
CID 55832637
2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 55824060
3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol
CID 133497854
[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 55832933
3-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-one
CID 133497396
5-[(3S)-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 100758075
4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide
CID 75499749
N,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 55832430
2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 28848470

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine (CID 55824437) is 4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine is CCN1CCN(c2nc(C)nc3scc(CC(C)C)c23)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine?
The InChIKey is YFEAAKBIWIWWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S/c1-5-20-6-8-21(9-7-20)16-15-14(10-12(2)3)11-22-17(15)19-13(4)18-16/h11-12H,5-10H2,1-4H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine?
4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine has a molecular weight of 318.49 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 55824437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).