6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine

C15H22N4OS — CID 2076558

IUPAC6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCCCN3CCOCC3)ncnc2s1
InChIInChI=1S/C15H22N4OS/c1-2-12-10-13-14(17-11-18-15(13)21-12)16-4-3-5-19-6-8-20-9-7-19/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyDTINBFDSSYDBMV-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.39
Rot. Bonds6

About 6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine

6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2076558) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2076558
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCCCN3CCOCC3)ncnc2s1
InChIInChI=1S/C15H22N4OS/c1-2-12-10-13-14(17-11-18-15(13)21-12)16-4-3-5-19-6-8-20-9-7-19/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyDTINBFDSSYDBMV-UHFFFAOYSA-N
XLogP2.39
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 21002676
N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906628
1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590085
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 39083157
N-(3-chlorobutyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65028734
6-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine
CID 133409616
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 6957125
5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66341208
6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992
6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133332090
6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 63729585

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 2076558) is 6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCCCN3CCOCC3)ncnc2s1.
What is the InChIKey of 6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DTINBFDSSYDBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-2-12-10-13-14(17-11-18-15(13)21-12)16-4-3-5-19-6-8-20-9-7-19/h10-11H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 306.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2076558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).