2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one

C14H23N3O2 — CID 136941135

IUPAC2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCOC(c1nc2c(c(=O)[nH]1)CNCC2)C(C)(C)C
InChIInChI=1S/C14H23N3O2/c1-5-19-11(14(2,3)4)12-16-10-6-7-15-8-9(10)13(18)17-12/h11,15H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyOGUNFBOVYKDJEU-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.54
Rot. Bonds3

About 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one

2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 136941135) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID136941135
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCOC(c1nc2c(c(=O)[nH]1)CNCC2)C(C)(C)C
InChIInChI=1S/C14H23N3O2/c1-5-19-11(14(2,3)4)12-16-10-6-7-15-8-9(10)13(18)17-12/h11,15H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyOGUNFBOVYKDJEU-UHFFFAOYSA-N
XLogP1.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-(2-Methoxyethyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 97619787
2-Cyclopropyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 97619793
5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135970649
5-[1-(1,4-dioxan-2-ylmethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136082024
5-[1-(1-methoxypropan-2-ylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136091195
5-[1-(2-methoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136091313
5-[1-(2-ethoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136091378
2,4-dimethyl-5-[1-[2-(3-methylbutoxy)ethylamino]ethyl]-1H-pyrimidin-6-one
CID 136162432
5-[1-(1-ethoxypropan-2-ylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136175039
2-tert-butyl-N-(2-methoxy-3,3-dimethylbutyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136226414
2-(1-ethoxyethyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136276389
2-(1-ethoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136276393

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 136941135) is 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is CCOC(c1nc2c(c(=O)[nH]1)CNCC2)C(C)(C)C.
What is the InChIKey of 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OGUNFBOVYKDJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-19-11(14(2,3)4)12-16-10-6-7-15-8-9(10)13(18)17-12/h11,15H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 265.36 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136941135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).