2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol

C13H18N4OS — CID 102687009

IUPAC2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCc1csc2c(N3CCN(CCO)CC3)ncnc12
InChIInChI=1S/C13H18N4OS/c1-10-8-19-12-11(10)14-9-15-13(12)17-4-2-16(3-5-17)6-7-18/h8-9,18H,2-7H2,1H3
InChIKeyQBYPYKQMSIQSAE-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.11
Rot. Bonds3

About 2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol

2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 102687009) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID102687009
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCc1csc2c(N3CCN(CCO)CC3)ncnc12
InChIInChI=1S/C13H18N4OS/c1-10-8-19-12-11(10)14-9-15-13(12)17-4-2-16(3-5-17)6-7-18/h8-9,18H,2-7H2,1H3
InChIKeyQBYPYKQMSIQSAE-UHFFFAOYSA-N
XLogP1.11
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 102687035
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-ol
CID 102687027
(3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol
CID 56898903
7-methyl-4-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 171690814
7-methyl-4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 171701165
4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 102685971
4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine
CID 23381410
2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 102685980
N,N-dimethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 171691257
2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol
CID 102687014
6-fluoro-3-[[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171998463

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol (CID 102687009) is 2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol is Cc1csc2c(N3CCN(CCO)CC3)ncnc12.
What is the InChIKey of 2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is QBYPYKQMSIQSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10-8-19-12-11(10)14-9-15-13(12)17-4-2-16(3-5-17)6-7-18/h8-9,18H,2-7H2,1H3.
What are the key properties of 2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 278.38 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 102687009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).