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

C15H24N4OS — CID 103329093

IUPAC3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol
SMILESCCc1cc2c(NCC(CC)CCO)nc(NC)nc2s1
InChIInChI=1S/C15H24N4OS/c1-4-10(6-7-20)9-17-13-12-8-11(5-2)21-14(12)19-15(16-3)18-13/h8,10,20H,4-7,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyDFYMCRFFDPRNPU-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.12
Rot. Bonds8

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

3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol (PubChem CID 103329093) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol
PubChem CID103329093
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol
SMILESCCc1cc2c(NCC(CC)CCO)nc(NC)nc2s1
InChIInChI=1S/C15H24N4OS/c1-4-10(6-7-20)9-17-13-12-8-11(5-2)21-14(12)19-15(16-3)18-13/h8,10,20H,4-7,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyDFYMCRFFDPRNPU-UHFFFAOYSA-N
XLogP3.12
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
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-(2-methyl-3-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328043
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
3-[[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 103334672
4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329084
3-[2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311692
6-ethyl-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326140
ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103325279
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103335072
1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol
CID 103330320
[1-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
CID 103330455

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol (CID 103329093) is 3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol is CCc1cc2c(NCC(CC)CCO)nc(NC)nc2s1.
What is the InChIKey of 3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The InChIKey is DFYMCRFFDPRNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-4-10(6-7-20)9-17-13-12-8-11(5-2)21-14(12)19-15(16-3)18-13/h8,10,20H,4-7,9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol?
3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol has a molecular weight of 308.45 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pentan-1-ol is sourced from PubChem (CID 103329093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).