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

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

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Related Compounds

4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329081
3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 103329093
6-ethyl-4-N-pentan-2-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324208
3-[2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311692
3-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 103326409
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
6-ethyl-4-N-(1-methoxypentan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328231
2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol
CID 103335360
6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330779
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103335739
4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324085

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).