3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

C21H24FN5O — CID 126942420

IUPAC3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(c3ncnc4ccc(F)cc34)CC2)cn1
InChIInChI=1S/C21H24FN5O/c1-14(2)19-10-20(28)27(13-25-19)11-15-5-7-26(8-6-15)21-17-9-16(22)3-4-18(17)23-12-24-21/h3-4,9-10,12-15H,5-8,11H2,1-2H3
InChIKeyLFRLPSLCKIPEOM-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.37
Rot. Bonds4

About 3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (PubChem CID 126942420) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
PubChem CID126942420
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(c3ncnc4ccc(F)cc34)CC2)cn1
InChIInChI=1S/C21H24FN5O/c1-14(2)19-10-20(28)27(13-25-19)11-15-5-7-26(8-6-15)21-17-9-16(22)3-4-18(17)23-12-24-21/h3-4,9-10,12-15H,5-8,11H2,1-2H3
InChIKeyLFRLPSLCKIPEOM-UHFFFAOYSA-N
XLogP3.37
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
3-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942191
3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942124
3-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942109
6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline
CID 163352972
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
7-fluoro-3-[[1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581294
6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942387
3-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942429
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976434
6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943978
3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one
CID 139800859

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (CID 126942420) is 3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is CC(C)c1cc(=O)n(CC2CCN(c3ncnc4ccc(F)cc34)CC2)cn1.
What is the InChIKey of 3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The InChIKey is LFRLPSLCKIPEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-14(2)19-10-20(28)27(13-25-19)11-15-5-7-26(8-6-15)21-17-9-16(22)3-4-18(17)23-12-24-21/h3-4,9-10,12-15H,5-8,11H2,1-2H3.
What are the key properties of 3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one has a molecular weight of 381.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 126942420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).