[1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol

C15H22N4OS — CID 103325518

IUPAC[1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol
SMILESCCc1cc2c(N3CCCCC3CO)nc(NC)nc2s1
InChIInChI=1S/C15H22N4OS/c1-3-11-8-12-13(17-15(16-2)18-14(12)21-11)19-7-5-4-6-10(19)9-20/h8,10,20H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyTWOKNUKNVWSAAW-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.65
Rot. Bonds4

About [1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol

[1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol (PubChem CID 103325518) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is [1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol
PubChem CID103325518
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name[1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol
SMILESCCc1cc2c(N3CCCCC3CO)nc(NC)nc2s1
InChIInChI=1S/C15H22N4OS/c1-3-11-8-12-13(17-15(16-2)18-14(12)21-11)19-7-5-4-6-10(19)9-20/h8,10,20H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyTWOKNUKNVWSAAW-UHFFFAOYSA-N
XLogP2.65
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol (CID 103325518) is [1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol is CCc1cc2c(N3CCCCC3CO)nc(NC)nc2s1.
What is the InChIKey of [1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol?
The InChIKey is TWOKNUKNVWSAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-11-8-12-13(17-15(16-2)18-14(12)21-11)19-7-5-4-6-10(19)9-20/h8,10,20H,3-7,9H2,1-2H3,(H,16,17,18).
What are the key properties of [1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol?
[1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol has a molecular weight of 306.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 103325518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).