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

C16H19N3O3 — CID 136857282

IUPAC2-[(3-methoxyphenoxy)methyl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cccc(OCc2nc3c(c(=O)[nH]2)CN(C)CC3)c1
InChIInChI=1S/C16H19N3O3/c1-19-7-6-14-13(9-19)16(20)18-15(17-14)10-22-12-5-3-4-11(8-12)21-2/h3-5,8H,6-7,9-10H2,1-2H3,(H,17,18,20)
InChIKeyURHRHZJZNNTBDO-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.35
Rot. Bonds4

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

2-[(3-methoxyphenoxy)methyl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136857282) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[(3-methoxyphenoxy)methyl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-methoxyphenoxy)methyl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136857282
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-[(3-methoxyphenoxy)methyl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cccc(OCc2nc3c(c(=O)[nH]2)CN(C)CC3)c1
InChIInChI=1S/C16H19N3O3/c1-19-7-6-14-13(9-19)16(20)18-15(17-14)10-22-12-5-3-4-11(8-12)21-2/h3-5,8H,6-7,9-10H2,1-2H3,(H,17,18,20)
InChIKeyURHRHZJZNNTBDO-UHFFFAOYSA-N
XLogP1.35
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-hydroxypropyl)-2-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135540683
7-[(3-methoxyphenyl)methyl]-2-methyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136763941
6-butanoyl-2-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135772124
ethyl 2-[[2-[(3-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl]amino]acetate
CID 135543299
6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918007
6-(2-fluorobenzoyl)-2-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622498
2-[(3-methoxyphenyl)methylsulfanyl]-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135951971
6-[(2-fluoro-4-methoxyphenyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917816
6-methyl-2-(6-methyl-2-pyridinyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 162371579
2-chloro-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136982066
6-(benzenesulfonyl)-2-[(4-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622530
3-[(6-methoxy-4-oxo-3H-quinazolin-2-yl)methoxy]benzonitrile
CID 156870480

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenoxy)methyl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(3-methoxyphenoxy)methyl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136857282) is 2-[(3-methoxyphenoxy)methyl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-methoxyphenoxy)methyl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(3-methoxyphenoxy)methyl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1cccc(OCc2nc3c(c(=O)[nH]2)CN(C)CC3)c1.
What is the InChIKey of 2-[(3-methoxyphenoxy)methyl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is URHRHZJZNNTBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-19-7-6-14-13(9-19)16(20)18-15(17-14)10-22-12-5-3-4-11(8-12)21-2/h3-5,8H,6-7,9-10H2,1-2H3,(H,17,18,20).
What are the key properties of 2-[(3-methoxyphenoxy)methyl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[(3-methoxyphenoxy)methyl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 301.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenoxy)methyl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136857282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).