5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one

C14H21N3OS — CID 61387977

IUPAC5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCCNCCCn1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C14H21N3OS/c1-4-6-15-7-5-8-17-9-16-13-12(14(17)18)10(2)11(3)19-13/h9,15H,4-8H2,1-3H3
InChIKeyMYOYKSKVYXRYKY-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.46
Rot. Bonds6

About 5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 61387977) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID61387977
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCCNCCCn1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C14H21N3OS/c1-4-6-15-7-5-8-17-9-16-13-12(14(17)18)10(2)11(3)19-13/h9,15H,4-8H2,1-3H3
InChIKeyMYOYKSKVYXRYKY-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 1093547
3-[3-(dimethylamino)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245042
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 18162909
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanehydrazide
CID 60713001
3-[2-(dimethylamino)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245056
5,6-dimethyl-3-[4-(4-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one
CID 7731373
3-(3,3-diethoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 63628612
3-[2-(furan-2-ylmethylamino)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 62564089
3-[3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]propanoic acid
CID 39164695
[2-oxo-2-(propylamino)ethyl] 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7905002
3-[(4-ethylphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 734927
6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one
CID 19244979

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one (CID 61387977) is 5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one is CCCNCCCn1cnc2sc(C)c(C)c2c1=O.
What is the InChIKey of 5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is MYOYKSKVYXRYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-4-6-15-7-5-8-17-9-16-13-12(14(17)18)10(2)11(3)19-13/h9,15H,4-8H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 279.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[3-(propylamino)propyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 61387977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).