2-(3-methoxypropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C11H16N2O3 — CID 136696344

IUPAC2-(3-methoxypropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCOCCCc1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C11H16N2O3/c1-15-5-2-3-10-12-9-4-6-16-7-8(9)11(14)13-10/h2-7H2,1H3,(H,12,13,14)
InChIKeyYHGOJNKFQNEBHW-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.42
Rot. Bonds4

About 2-(3-methoxypropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-(3-methoxypropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696344) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696344
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(3-methoxypropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCOCCCc1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C11H16N2O3/c1-15-5-2-3-10-12-9-4-6-16-7-8(9)11(14)13-10/h2-7H2,1H3,(H,12,13,14)
InChIKeyYHGOJNKFQNEBHW-UHFFFAOYSA-N
XLogP0.42
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-methoxypropyl)-3,5,7,8-tetrahydropyrano[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

2-[2-(2,2,2-Trifluoroethoxy)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696151
2-(2,2,2-Trifluoroethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696335
2-(3,3,3-Trifluoropropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136982249
2-[2-(2,2-Difluoroethoxy)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136982269
2-Methyl-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 135741851
2-(Aminomethyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 135741894
2-(Chloromethyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 135741947
2-((isobutylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136244071
2-((propylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136244072
2-(Methylaminomethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136244073
2-Tert-butyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136612915
2-((neopentylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627190

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-methoxypropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696344) is 2-(3-methoxypropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methoxypropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-methoxypropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is COCCCc1nc2c(c(=O)[nH]1)COCC2.
What is the InChIKey of 2-(3-methoxypropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is YHGOJNKFQNEBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-5-2-3-10-12-9-4-6-16-7-8(9)11(14)13-10/h2-7H2,1H3,(H,12,13,14).
What are the key properties of 2-(3-methoxypropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(3-methoxypropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 224.26 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).