5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one

C17H22N4O3 — CID 91950167

IUPAC5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one
SMILESC=CCn1cnc2oc(C)c(C(=O)N3CCN(CC)CC3)c2c1=O
InChIInChI=1S/C17H22N4O3/c1-4-6-21-11-18-15-14(17(21)23)13(12(3)24-15)16(22)20-9-7-19(5-2)8-10-20/h4,11H,1,5-10H2,2-3H3
InChIKeyAEAJYEUMZKTNHO-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.26
Rot. Bonds4

About 5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one

5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one (PubChem CID 91950167) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one
PubChem CID91950167
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one
SMILESC=CCn1cnc2oc(C)c(C(=O)N3CCN(CC)CC3)c2c1=O
InChIInChI=1S/C17H22N4O3/c1-4-6-21-11-18-15-14(17(21)23)13(12(3)24-15)16(22)20-9-7-19(5-2)8-10-20/h4,11H,1,5-10H2,2-3H3
InChIKeyAEAJYEUMZKTNHO-UHFFFAOYSA-N
XLogP1.26
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950187
6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one
CID 91950188
N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide
CID 91950154
3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950060
3,6-dimethyl-5-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one
CID 91949898
3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950324
5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one
CID 91950231
6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 91950156
5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one
CID 91950213
5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
CID 53209286
ethyl 3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652048
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209329

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one (CID 91950167) is 5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one is C=CCn1cnc2oc(C)c(C(=O)N3CCN(CC)CC3)c2c1=O.
What is the InChIKey of 5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one?
The InChIKey is AEAJYEUMZKTNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-6-21-11-18-15-14(17(21)23)13(12(3)24-15)16(22)20-9-7-19(5-2)8-10-20/h4,11H,1,5-10H2,2-3H3.
What are the key properties of 5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one?
5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one has a molecular weight of 330.39 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 91950167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).