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

C12H19N3O2 — CID 136941486

IUPAC2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOC(c1nc2c(c(=O)[nH]1)CCNC2)C(C)C
InChIInChI=1S/C12H19N3O2/c1-7(2)10(17-3)11-14-9-6-13-5-4-8(9)12(16)15-11/h7,10,13H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyGEEORLLMWSWNTG-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.76
Rot. Bonds3

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

2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136941486) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136941486
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOC(c1nc2c(c(=O)[nH]1)CCNC2)C(C)C
InChIInChI=1S/C12H19N3O2/c1-7(2)10(17-3)11-14-9-6-13-5-4-8(9)12(16)15-11/h7,10,13H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyGEEORLLMWSWNTG-UHFFFAOYSA-N
XLogP0.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(2,2,3,3-tetrafluoropropoxymethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136890512
2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136967823
5-isopropyl-2-(methoxymethyl)-6-methylpyrimidin-4(3H)-one
CID 136064349
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-(2-Propan-2-yloxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483547
3-[2-[(2-Methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483558
3-[2-(3-Methylbutoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483657
3-(2-Methoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483680
3-[2-(2-Methylpropoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 106456454
7-(Ethoxymethyl)-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866113
2-Cyclopropyl-7-(ethoxymethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866117

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136941486) is 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is COC(c1nc2c(c(=O)[nH]1)CCNC2)C(C)C.
What is the InChIKey of 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is GEEORLLMWSWNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7(2)10(17-3)11-14-9-6-13-5-4-8(9)12(16)15-11/h7,10,13H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 237.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).