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

C12H19N3O2 — CID 103483547

IUPAC3-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)OCCn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C12H19N3O2/c1-9(2)17-6-5-15-8-14-11-7-13-4-3-10(11)12(15)16/h8-9,13H,3-7H2,1-2H3
InChIKeyYJKQHVKMOGZRMV-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.31
Rot. Bonds4

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

3-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483547) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483547
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)OCCn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C12H19N3O2/c1-9(2)17-6-5-15-8-14-11-7-13-4-3-10(11)12(15)16/h8-9,13H,3-7H2,1-2H3
InChIKeyYJKQHVKMOGZRMV-UHFFFAOYSA-N
XLogP0.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-acetyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 136380778
tert-butyl 4-hydroxy-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 135741723
3-[3-(2,2,2-Trifluoroethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483587
3-[2-(2,2,2-Trifluoroethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483902
2-(2,6-Dimethylmorpholin-4-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135674366
7-(2-propoxypropanoyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136112902
3-Tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83883373
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 135896979
Butyl 4-hydroxy-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
CID 137198209
Tert-butyl 2-(methoxymethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate
CID 175629269
Tert-butyl 2-(1-methoxyethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate
CID 175629373
3-ethyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 75480675

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483547) is 3-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC(C)OCCn1cnc2c(c1=O)CCNC2.
What is the InChIKey of 3-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is YJKQHVKMOGZRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)17-6-5-15-8-14-11-7-13-4-3-10(11)12(15)16/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 3-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 237.30 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).