3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one

C13H19N3OS — CID 62563421

IUPAC3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)CNCCCn1cnc2ccsc2c1=O
InChIInChI=1S/C13H19N3OS/c1-10(2)8-14-5-3-6-16-9-15-11-4-7-18-12(11)13(16)17/h4,7,9-10,14H,3,5-6,8H2,1-2H3
InChIKeyZZBVNSBSKZBSEN-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.09
Rot. Bonds6

About 3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one

3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 62563421) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID62563421
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)CNCCCn1cnc2ccsc2c1=O
InChIInChI=1S/C13H19N3OS/c1-10(2)8-14-5-3-6-16-9-15-11-4-7-18-12(11)13(16)17/h4,7,9-10,14H,3,5-6,8H2,1-2H3
InChIKeyZZBVNSBSKZBSEN-UHFFFAOYSA-N
XLogP2.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one (CID 62563421) is 3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one is CC(C)CNCCCn1cnc2ccsc2c1=O.
What is the InChIKey of 3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is ZZBVNSBSKZBSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10(2)8-14-5-3-6-16-9-15-11-4-7-18-12(11)13(16)17/h4,7,9-10,14H,3,5-6,8H2,1-2H3.
What are the key properties of 3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one?
3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 265.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 62563421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).