4-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one

C11H18N4O — CID 83849862

IUPAC4-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESCN(C)CCc1nc(=O)[nH]c2c1CCNC2
InChIInChI=1S/C11H18N4O/c1-15(2)6-4-9-8-3-5-12-7-10(8)14-11(16)13-9/h12H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyPISPOYNZFKFDOU-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.48
Rot. Bonds3

About 4-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one

4-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (PubChem CID 83849862) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
PubChem CID83849862
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESCN(C)CCc1nc(=O)[nH]c2c1CCNC2
InChIInChI=1S/C11H18N4O/c1-15(2)6-4-9-8-3-5-12-7-10(8)14-11(16)13-9/h12H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyPISPOYNZFKFDOU-UHFFFAOYSA-N
XLogP-0.48
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (CID 83849862) is 4-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is CN(C)CCc1nc(=O)[nH]c2c1CCNC2.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The InChIKey is PISPOYNZFKFDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15(2)6-4-9-8-3-5-12-7-10(8)14-11(16)13-9/h12H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of 4-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
4-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one has a molecular weight of 222.29 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83849862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).