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

C13H21N3O2 — CID 136941166

IUPAC2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOC(c1nc2c(c(=O)[nH]1)CNCC2)C(C)(C)C
InChIInChI=1S/C13H21N3O2/c1-13(2,3)10(18-4)11-15-9-5-6-14-7-8(9)12(17)16-11/h10,14H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyIRINGKXFNFCTHH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.15
Rot. Bonds2

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

2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 136941166) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID136941166
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOC(c1nc2c(c(=O)[nH]1)CNCC2)C(C)(C)C
InChIInChI=1S/C13H21N3O2/c1-13(2,3)10(18-4)11-15-9-5-6-14-7-8(9)12(17)16-11/h10,14H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyIRINGKXFNFCTHH-UHFFFAOYSA-N
XLogP1.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one
CID 151638110
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-(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
5-[1-(1-methoxybutan-2-ylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136115733
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
5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136264255
2,4-dimethyl-5-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]-1H-pyrimidin-6-one
CID 136277890

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 136941166) is 2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is COC(c1nc2c(c(=O)[nH]1)CNCC2)C(C)(C)C.
What is the InChIKey of 2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is IRINGKXFNFCTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)10(18-4)11-15-9-5-6-14-7-8(9)12(17)16-11/h10,14H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of 2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 251.33 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136941166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).