3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one

C17H23N3O4 — CID 91950324

IUPAC3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
SMILESCOCCCn1cnc2oc(C)c(C(=O)N3CCCCC3)c2c1=O
InChIInChI=1S/C17H23N3O4/c1-12-13(16(21)19-7-4-3-5-8-19)14-15(24-12)18-11-20(17(14)22)9-6-10-23-2/h11H,3-10H2,1-2H3
InChIKeyGQOIPNFGICYZNJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.96
Rot. Bonds5

About 3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one

3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one (PubChem CID 91950324) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
PubChem CID91950324
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
SMILESCOCCCn1cnc2oc(C)c(C(=O)N3CCCCC3)c2c1=O
InChIInChI=1S/C17H23N3O4/c1-12-13(16(21)19-7-4-3-5-8-19)14-15(24-12)18-11-20(17(14)22)9-6-10-23-2/h11H,3-10H2,1-2H3
InChIKeyGQOIPNFGICYZNJ-UHFFFAOYSA-N
XLogP1.96
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950060
3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
CID 39103403
5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one
CID 91950231
5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one
CID 91950213
N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950232
ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate
CID 91950055
N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 100815085
3-(3-methoxypropyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950301
3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949965
(3S)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylic acid
CID 119135818
3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide
CID 91950234
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950270

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one (CID 91950324) is 3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one is COCCCn1cnc2oc(C)c(C(=O)N3CCCCC3)c2c1=O.
What is the InChIKey of 3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one?
The InChIKey is GQOIPNFGICYZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12-13(16(21)19-7-4-3-5-8-19)14-15(24-12)18-11-20(17(14)22)9-6-10-23-2/h11H,3-10H2,1-2H3.
What are the key properties of 3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one?
3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one has a molecular weight of 333.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 91950324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).