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

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Related Compounds

N-(4-Phenylamino-quinazolin-6-YL)-acrylamide
CID 10401956
N-(4-m-Tolylamino-quinazolin-6-yl)-acrylamide
CID 9995195
4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
N-(4-m-Tolylamino-quinazolin-7-yl)-acrylamide
CID 10494722
1-(2-(Diethylamino)quinazolin-4-yl)-3-phenylurea
CID 10640536
4-(4-Methylpiperazin-1-yl)quinazoline
CID 21029584
N-[4-(3-Trifluoromethyl-phenylamino)-quinazolin-6-yl]-acrylamide
CID 10522352
(E)-4-Dimethylamino-but-2-enoic acid [4-(3-iodo-phenylamino)-quinazolin-6-yl]-amide
CID 21080015
4-(2-(1-Benzylpiperidin-4-yl)ethyl)quinazoline
CID 10404467
4-(4-Methyl-1-piperidinyl)-2-phenylquinazoline
CID 719693

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).