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

C15H24N4OS — CID 103326409

IUPAC3-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
SMILESCCc1cc2c(N(CCCO)C(C)C)nc(NC)nc2s1
InChIInChI=1S/C15H24N4OS/c1-5-11-9-12-13(19(10(2)3)7-6-8-20)17-15(16-4)18-14(12)21-11/h9-10,20H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyUOKDCMVIRSEVJB-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.89
Rot. Bonds7

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

3-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol (PubChem CID 103326409) 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]-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
PubChem CID103326409
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name3-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
SMILESCCc1cc2c(N(CCCO)C(C)C)nc(NC)nc2s1
InChIInChI=1S/C15H24N4OS/c1-5-11-9-12-13(19(10(2)3)7-6-8-20)17-15(16-4)18-14(12)21-11/h9-10,20H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyUOKDCMVIRSEVJB-UHFFFAOYSA-N
XLogP2.89
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 103326354
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol
CID 103324497
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propylamino]ethanol
CID 103325635
4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329084
6-ethyl-2-N,4-N-dimethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324672
4-N-cyclopropyl-6-ethyl-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324556
6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330552
2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol
CID 103335360
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]amino]methyl]pentan-1-ol
CID 103329093
4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332122
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155

Frequently Asked Questions

What is the IUPAC name of 3-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol (CID 103326409) is 3-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol is CCc1cc2c(N(CCCO)C(C)C)nc(NC)nc2s1.
What is the InChIKey of 3-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol?
The InChIKey is UOKDCMVIRSEVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-5-11-9-12-13(19(10(2)3)7-6-8-20)17-15(16-4)18-14(12)21-11/h9-10,20H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 3-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol?
3-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol has a molecular weight of 308.45 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 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]-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 103326409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).