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

C11H17N3O2 — CID 135866123

IUPAC7-(ethoxymethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCOCN1CCc2c(nc(C)[nH]c2=O)C1
InChIInChI=1S/C11H17N3O2/c1-3-16-7-14-5-4-9-10(6-14)12-8(2)13-11(9)15/h3-7H2,1-2H3,(H,12,13,15)
InChIKeyVXJSMBAAIFRMRF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.43
Rot. Bonds3

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

7-(ethoxymethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135866123) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 7-(ethoxymethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(ethoxymethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135866123
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name7-(ethoxymethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCOCN1CCc2c(nc(C)[nH]c2=O)C1
InChIInChI=1S/C11H17N3O2/c1-3-16-7-14-5-4-9-10(6-14)12-8(2)13-11(9)15/h3-7H2,1-2H3,(H,12,13,15)
InChIKeyVXJSMBAAIFRMRF-UHFFFAOYSA-N
XLogP0.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.43
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
2,4-dimethyl-5-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136124579
7-Butyl-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866046
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-[2,2-Dimethyl-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136858860
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-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 135896979
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

Frequently Asked Questions

What is the IUPAC name of 7-(ethoxymethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(ethoxymethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135866123) is 7-(ethoxymethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(ethoxymethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(ethoxymethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCOCN1CCc2c(nc(C)[nH]c2=O)C1.
What is the InChIKey of 7-(ethoxymethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is VXJSMBAAIFRMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-16-7-14-5-4-9-10(6-14)12-8(2)13-11(9)15/h3-7H2,1-2H3,(H,12,13,15).
What are the key properties of 7-(ethoxymethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(ethoxymethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 223.28 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethoxymethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135866123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).