2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one

C13H21N3O2 — CID 136941085

IUPAC2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCC(CC)(OC)c1nc2c(c(=O)[nH]1)CNCC2
InChIInChI=1S/C13H21N3O2/c1-4-13(5-2,18-3)12-15-10-6-7-14-8-9(10)11(17)16-12/h14H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyCZRIEISOSOAXMY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.08
Rot. Bonds4

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

2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 136941085) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID136941085
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCC(CC)(OC)c1nc2c(c(=O)[nH]1)CNCC2
InChIInChI=1S/C13H21N3O2/c1-4-13(5-2,18-3)12-15-10-6-7-14-8-9(10)11(17)16-12/h14H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyCZRIEISOSOAXMY-UHFFFAOYSA-N
XLogP1.08
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxypentan-3-yl)-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
5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136696573
2-(2-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941030
2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941031
2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941032
2-(1-methoxycyclobutyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941054
2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941055
2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941082
2-(2-methoxybutan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941083
2-(1-methoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941084
2-(1-methoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941104
2-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941123

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 136941085) is 2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is CCC(CC)(OC)c1nc2c(c(=O)[nH]1)CNCC2.
What is the InChIKey of 2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is CZRIEISOSOAXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-13(5-2,18-3)12-15-10-6-7-14-8-9(10)11(17)16-12/h14H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 251.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136941085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).