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

C14H22N4OS — CID 103329084

IUPAC4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCc1cc2c(NC(C)CCCO)nc(NC)nc2s1
InChIInChI=1S/C14H22N4OS/c1-4-10-8-11-12(16-9(2)6-5-7-19)17-14(15-3)18-13(11)20-10/h8-9,19H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyDLQWXHQYWMZVEK-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.87
Rot. Bonds7

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

4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 103329084) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID103329084
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCc1cc2c(NC(C)CCCO)nc(NC)nc2s1
InChIInChI=1S/C14H22N4OS/c1-4-10-8-11-12(16-9(2)6-5-7-19)17-14(15-3)18-13(11)20-10/h8-9,19H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyDLQWXHQYWMZVEK-UHFFFAOYSA-N
XLogP2.87
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol (CID 103329084) is 4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol is CCc1cc2c(NC(C)CCCO)nc(NC)nc2s1.
What is the InChIKey of 4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is DLQWXHQYWMZVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-4-10-8-11-12(16-9(2)6-5-7-19)17-14(15-3)18-13(11)20-10/h8-9,19H,4-7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol?
4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 294.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 103329084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).