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

C13H19N3O2 — CID 135866117

IUPAC2-cyclopropyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCOCN1CCc2c(nc(C3CC3)[nH]c2=O)C1
InChIInChI=1S/C13H19N3O2/c1-2-18-8-16-6-5-10-11(7-16)14-12(9-3-4-9)15-13(10)17/h9H,2-8H2,1H3,(H,14,15,17)
InChIKeyHQMDPPSPSMTWSU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.00
Rot. Bonds4

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

2-cyclopropyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135866117) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135866117
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyclopropyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCOCN1CCc2c(nc(C3CC3)[nH]c2=O)C1
InChIInChI=1S/C13H19N3O2/c1-2-18-8-16-6-5-10-11(7-16)14-12(9-3-4-9)15-13(10)17/h9H,2-8H2,1H3,(H,14,15,17)
InChIKeyHQMDPPSPSMTWSU-UHFFFAOYSA-N
XLogP1.00
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(Ethoxymethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866126
2-Tert-butyl-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135996691
tert-butyl 4-hydroxy-2-methyl-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
CID 136011114
2-Tert-butyl-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136036454
2-Ethyl-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136036455
2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136036456
4-Oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 138635879
2-Cyclopropyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 138636040
Tert-butyl 2-cyclopropyl-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3h)-carboxylate
CID 142599633
Tert-butyl 4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate
CID 142599668
2-ethyl-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 160012890
Tert-butyl 2-ethyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate
CID 172272595

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135866117) is 2-cyclopropyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCOCN1CCc2c(nc(C3CC3)[nH]c2=O)C1.
What is the InChIKey of 2-cyclopropyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HQMDPPSPSMTWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-18-8-16-6-5-10-11(7-16)14-12(9-3-4-9)15-13(10)17/h9H,2-8H2,1H3,(H,14,15,17).
What are the key properties of 2-cyclopropyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-cyclopropyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 249.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135866117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).