2-[4-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]ethanol

C14H22N4OS — CID 14878822

IUPAC2-[4-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]ethanol
SMILESCN1CCN(c2nc(CCO)nc3c2SCCC3)CC1
InChIInChI=1S/C14H22N4OS/c1-17-5-7-18(8-6-17)14-13-11(3-2-10-20-13)15-12(16-14)4-9-19/h19H,2-10H2,1H3
InChIKeyUECUUKODKBEVLZ-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.80
Rot. Bonds3

About 2-[4-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]ethanol

2-[4-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]ethanol (PubChem CID 14878822) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]ethanol
PubChem CID14878822
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-[4-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]ethanol
SMILESCN1CCN(c2nc(CCO)nc3c2SCCC3)CC1
InChIInChI=1S/C14H22N4OS/c1-17-5-7-18(8-6-17)14-13-11(3-2-10-20-13)15-12(16-14)4-9-19/h19H,2-10H2,1H3
InChIKeyUECUUKODKBEVLZ-UHFFFAOYSA-N
XLogP0.80
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]ethanol?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]ethanol (CID 14878822) is 2-[4-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]ethanol?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]ethanol is CN1CCN(c2nc(CCO)nc3c2SCCC3)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]ethanol?
The InChIKey is UECUUKODKBEVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-17-5-7-18(8-6-17)14-13-11(3-2-10-20-13)15-12(16-14)4-9-19/h19H,2-10H2,1H3.
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]ethanol?
2-[4-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]ethanol has a molecular weight of 294.42 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 14878822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).