3-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C11H18N4O — CID 103483478

IUPAC3-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCN(C)CCn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C11H18N4O/c1-14(2)5-6-15-8-13-10-7-12-4-3-9(10)11(15)16/h8,12H,3-7H2,1-2H3
InChIKeyAUBFJCTVOYIHLM-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.55
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

3-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483478) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483478
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCN(C)CCn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C11H18N4O/c1-14(2)5-6-15-8-13-10-7-12-4-3-9(10)11(15)16/h8,12H,3-7H2,1-2H3
InChIKeyAUBFJCTVOYIHLM-UHFFFAOYSA-N
XLogP-0.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483478) is 3-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CN(C)CCn1cnc2c(c1=O)CCNC2.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is AUBFJCTVOYIHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14(2)5-6-15-8-13-10-7-12-4-3-9(10)11(15)16/h8,12H,3-7H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).