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

C13H19N3O2 — CID 136941127

IUPAC2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCC1(c2nc3c(c(=O)[nH]2)CNCC3)CCCCO1
InChIInChI=1S/C13H19N3O2/c1-13(5-2-3-7-18-13)12-15-10-4-6-14-8-9(10)11(17)16-12/h14H,2-8H2,1H3,(H,15,16,17)
InChIKeyYESDZNWAANJJDO-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.83
Rot. Bonds1

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

2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 136941127) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID136941127
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCC1(c2nc3c(c(=O)[nH]2)CNCC3)CCCCO1
InChIInChI=1S/C13H19N3O2/c1-13(5-2-3-7-18-13)12-15-10-4-6-14-8-9(10)11(17)16-12/h14H,2-8H2,1H3,(H,15,16,17)
InChIKeyYESDZNWAANJJDO-UHFFFAOYSA-N
XLogP0.83
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2,4-dimethyl-5-[1-(oxan-2-ylmethylamino)ethyl]-1H-pyrimidin-6-one
CID 136204991
4,5-dimethyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287892
5-ethyl-4-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287893
2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136287898
4-methyl-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136287903
4-ethyl-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287910
2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136288583
4-(2-aminoethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136303895
5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136310583
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 136941127) is 2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is CC1(c2nc3c(c(=O)[nH]2)CNCC3)CCCCO1.
What is the InChIKey of 2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YESDZNWAANJJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(5-2-3-7-18-13)12-15-10-4-6-14-8-9(10)11(17)16-12/h14H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 249.31 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136941127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).