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

C11H18N4O — CID 136963329

IUPAC2-(diethylamino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCN(CC)c1nc2c(c(=O)[nH]1)CNCC2
InChIInChI=1S/C11H18N4O/c1-3-15(4-2)11-13-9-5-6-12-7-8(9)10(16)14-11/h12H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyCIZJHFFKCLDUGM-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.26
Rot. Bonds3

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

2-(diethylamino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 136963329) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(diethylamino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(diethylamino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID136963329
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(diethylamino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCN(CC)c1nc2c(c(=O)[nH]1)CNCC2
InChIInChI=1S/C11H18N4O/c1-3-15(4-2)11-13-9-5-6-12-7-8(9)10(16)14-11/h12H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyCIZJHFFKCLDUGM-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(diethylamino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 136963329) is 2-(diethylamino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(diethylamino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(diethylamino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is CCN(CC)c1nc2c(c(=O)[nH]1)CNCC2.
What is the InChIKey of 2-(diethylamino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is CIZJHFFKCLDUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-15(4-2)11-13-9-5-6-12-7-8(9)10(16)14-11/h12H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of 2-(diethylamino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
2-(diethylamino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136963329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).