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

C14H20N4OS — CID 103330455

IUPAC[1-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
SMILESCCc1cc2c(NC3(CO)CCC3)nc(NC)nc2s1
InChIInChI=1S/C14H20N4OS/c1-3-9-7-10-11(18-14(8-19)5-4-6-14)16-13(15-2)17-12(10)20-9/h7,19H,3-6,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyGSYJCFSDGOOUSG-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.62
Rot. Bonds5

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

[1-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutyl]methanol (PubChem CID 103330455) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is [1-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
PubChem CID103330455
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name[1-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
SMILESCCc1cc2c(NC3(CO)CCC3)nc(NC)nc2s1
InChIInChI=1S/C14H20N4OS/c1-3-9-7-10-11(18-14(8-19)5-4-6-14)16-13(15-2)17-12(10)20-9/h7,19H,3-6,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyGSYJCFSDGOOUSG-UHFFFAOYSA-N
XLogP2.62
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.62
H-Bond Donors ≤ 53
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]amino]cyclobutyl]methanol?
The IUPAC name of [1-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutyl]methanol (CID 103330455) is [1-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutyl]methanol.
What is the SMILES notation for [1-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutyl]methanol?
The canonical SMILES for [1-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutyl]methanol is CCc1cc2c(NC3(CO)CCC3)nc(NC)nc2s1.
What is the InChIKey of [1-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutyl]methanol?
The InChIKey is GSYJCFSDGOOUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-9-7-10-11(18-14(8-19)5-4-6-14)16-13(15-2)17-12(10)20-9/h7,19H,3-6,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of [1-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutyl]methanol?
[1-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutyl]methanol has a molecular weight of 292.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 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]amino]cyclobutyl]methanol is sourced from PubChem (CID 103330455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).