5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one

C21H24N4O3 — CID 53024170

IUPAC5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2ncn(CCC(=O)N3CCN(c4ccccc4)CC3)c(=O)c2c1C
InChIInChI=1S/C21H24N4O3/c1-15-16(2)28-20-19(15)21(27)25(14-22-20)9-8-18(26)24-12-10-23(11-13-24)17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3
InChIKeyQJAMZYCRZSQBRC-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.35
Rot. Bonds4

About 5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one

5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one (PubChem CID 53024170) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one
PubChem CID53024170
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2ncn(CCC(=O)N3CCN(c4ccccc4)CC3)c(=O)c2c1C
InChIInChI=1S/C21H24N4O3/c1-15-16(2)28-20-19(15)21(27)25(14-22-20)9-8-18(26)24-12-10-23(11-13-24)17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3
InChIKeyQJAMZYCRZSQBRC-UHFFFAOYSA-N
XLogP2.35
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one
CID 53004435
5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one
CID 53024087
3-[6-oxo-6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-one
CID 4904361
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53024132
5,6-dimethyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one
CID 18148182
3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one
CID 53004401
5-(4-methylphenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 25398524
6-methyl-4-oxo-3-(2-phenoxyethyl)furo[2,3-d]pyrimidine-5-carboxylic acid
CID 45406557
7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 46324101
N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide
CID 53024007
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 53024256
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one (CID 53024170) is 5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one is Cc1oc2ncn(CCC(=O)N3CCN(c4ccccc4)CC3)c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one?
The InChIKey is QJAMZYCRZSQBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15-16(2)28-20-19(15)21(27)25(14-22-20)9-8-18(26)24-12-10-23(11-13-24)17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one?
5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one has a molecular weight of 380.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 53024170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).