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

C16H21N3O4 — CID 91950060

IUPAC3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
SMILESCOCCn1cnc2oc(C)c(C(=O)N3CCCCC3)c2c1=O
InChIInChI=1S/C16H21N3O4/c1-11-12(15(20)18-6-4-3-5-7-18)13-14(23-11)17-10-19(16(13)21)8-9-22-2/h10H,3-9H2,1-2H3
InChIKeyIETQQPKMQWXBSV-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.57
Rot. Bonds4

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

3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one (PubChem CID 91950060) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
PubChem CID91950060
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
SMILESCOCCn1cnc2oc(C)c(C(=O)N3CCCCC3)c2c1=O
InChIInChI=1S/C16H21N3O4/c1-11-12(15(20)18-6-4-3-5-7-18)13-14(23-11)17-10-19(16(13)21)8-9-22-2/h10H,3-9H2,1-2H3
InChIKeyIETQQPKMQWXBSV-UHFFFAOYSA-N
XLogP1.57
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950324
ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate
CID 91950055
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
3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949965
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
3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
CID 91949977
3-(2-methoxyethyl)-6-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 91950069
6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid
CID 45406557
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949960
(3S)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylic acid
CID 119135818

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one (CID 91950060) is 3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one is COCCn1cnc2oc(C)c(C(=O)N3CCCCC3)c2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one?
The InChIKey is IETQQPKMQWXBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-11-12(15(20)18-6-4-3-5-7-18)13-14(23-11)17-10-19(16(13)21)8-9-22-2/h10H,3-9H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one?
3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one has a molecular weight of 319.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 91950060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).