6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one

C18H24N4O3 — CID 91950187

IUPAC6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
SMILESC=CCn1cnc2oc(C)c(C(=O)N3CCN(CCC)CC3)c2c1=O
InChIInChI=1S/C18H24N4O3/c1-4-6-20-8-10-21(11-9-20)17(23)14-13(3)25-16-15(14)18(24)22(7-5-2)12-19-16/h5,12H,2,4,6-11H2,1,3H3
InChIKeyUDZQONQQHNMZTF-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.65
Rot. Bonds5

About 6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one

6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one (PubChem CID 91950187) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
PubChem CID91950187
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
SMILESC=CCn1cnc2oc(C)c(C(=O)N3CCN(CCC)CC3)c2c1=O
InChIInChI=1S/C18H24N4O3/c1-4-6-20-8-10-21(11-9-20)17(23)14-13(3)25-16-15(14)18(24)22(7-5-2)12-19-16/h5,12H,2,4,6-11H2,1,3H3
InChIKeyUDZQONQQHNMZTF-UHFFFAOYSA-N
XLogP1.65
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.65
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

5-(4-ethylpiperazine-1-carbonyl)-6-methyl-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one
CID 91950167
6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one
CID 91950188
3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950060
N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide
CID 91950154
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
5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one
CID 91950213
ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate
CID 91950055
6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 91950156
5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
CID 53209286
6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119135835

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one (CID 91950187) is 6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one is C=CCn1cnc2oc(C)c(C(=O)N3CCN(CCC)CC3)c2c1=O.
What is the InChIKey of 6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one?
The InChIKey is UDZQONQQHNMZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-6-20-8-10-21(11-9-20)17(23)14-13(3)25-16-15(14)18(24)22(7-5-2)12-19-16/h5,12H,2,4,6-11H2,1,3H3.
What are the key properties of 6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one?
6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one has a molecular weight of 344.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 91950187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).