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

C13H21N3O2 — CID 135866113

IUPAC7-(ethoxymethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CCN(COCC)C2
InChIInChI=1S/C13H21N3O2/c1-3-5-12-14-11-8-16(9-18-4-2)7-6-10(11)13(17)15-12/h3-9H2,1-2H3,(H,14,15,17)
InChIKeyHKXRNKDWJXZAAX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.07
Rot. Bonds5

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

7-(ethoxymethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135866113) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 7-(ethoxymethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(ethoxymethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135866113
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name7-(ethoxymethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CCN(COCC)C2
InChIInChI=1S/C13H21N3O2/c1-3-5-12-14-11-8-16(9-18-4-2)7-6-10(11)13(17)15-12/h3-9H2,1-2H3,(H,14,15,17)
InChIKeyHKXRNKDWJXZAAX-UHFFFAOYSA-N
XLogP1.07
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperazine-1-carboxylate
CID 135896960
7-(Ethoxymethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866126
2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136842553
2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137013000
7-cyclobutyl-2-(2-methoxyethyl)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 137167033
2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 135741595
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
2-((Dimethylamino)methyl)-5-isopropyl-6-methylpyrimidin-4-ol
CID 136293526

Frequently Asked Questions

What is the IUPAC name of 7-(ethoxymethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(ethoxymethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135866113) is 7-(ethoxymethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(ethoxymethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(ethoxymethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCCc1nc2c(c(=O)[nH]1)CCN(COCC)C2.
What is the InChIKey of 7-(ethoxymethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HKXRNKDWJXZAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-5-12-14-11-8-16(9-18-4-2)7-6-10(11)13(17)15-12/h3-9H2,1-2H3,(H,14,15,17).
What are the key properties of 7-(ethoxymethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(ethoxymethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 251.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethoxymethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135866113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).