2-[2-(methylamino)propyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

C10H15N3OS — CID 136699578

IUPAC2-[2-(methylamino)propyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCNC(C)Cc1nc2c(c(=O)[nH]1)CSC2
InChIInChI=1S/C10H15N3OS/c1-6(11-2)3-9-12-8-5-15-4-7(8)10(14)13-9/h6,11H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyQUJDMEXNHHINQJ-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.67
Rot. Bonds3

About 2-[2-(methylamino)propyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one

2-[2-(methylamino)propyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (PubChem CID 136699578) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-[2-(methylamino)propyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(methylamino)propyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
PubChem CID136699578
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-[2-(methylamino)propyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCNC(C)Cc1nc2c(c(=O)[nH]1)CSC2
InChIInChI=1S/C10H15N3OS/c1-6(11-2)3-9-12-8-5-15-4-7(8)10(14)13-9/h6,11H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyQUJDMEXNHHINQJ-UHFFFAOYSA-N
XLogP0.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)propyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[2-(methylamino)propyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one (CID 136699578) is 2-[2-(methylamino)propyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(methylamino)propyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[2-(methylamino)propyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is CNC(C)Cc1nc2c(c(=O)[nH]1)CSC2.
What is the InChIKey of 2-[2-(methylamino)propyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
The InChIKey is QUJDMEXNHHINQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-6(11-2)3-9-12-8-5-15-4-7(8)10(14)13-9/h6,11H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[2-(methylamino)propyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one?
2-[2-(methylamino)propyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one has a molecular weight of 225.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)propyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136699578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).