[4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone

C19H21FN4O2 — CID 66747951

IUPAC[4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2cc(OC3CCC3)ncn2)CC1
InChIInChI=1S/C19H21FN4O2/c20-15-6-4-14(5-7-15)19(25)24-10-8-23(9-11-24)17-12-18(22-13-21-17)26-16-2-1-3-16/h4-7,12-13,16H,1-3,8-11H2
InChIKeyZGHIRAXLKRZIQB-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.51
Rot. Bonds4

About [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone

[4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 66747951) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID66747951
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name[4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2cc(OC3CCC3)ncn2)CC1
InChIInChI=1S/C19H21FN4O2/c20-15-6-4-14(5-7-15)19(25)24-10-8-23(9-11-24)17-12-18(22-13-21-17)26-16-2-1-3-16/h4-7,12-13,16H,1-3,8-11H2
InChIKeyZGHIRAXLKRZIQB-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-cyclopentyloxy-3-pyridinyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343117
[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-iodophenyl)methanone
CID 121107340
4-cyclobutyloxy-6-piperazin-1-ylpyrimidine;dihydrochloride
CID 66747394
(6-methyl-3-pyridinyl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 53185855
[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 30773742
[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95108110
3H-benzimidazol-5-yl-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121107289
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342965
2-(1,2-benzoxazol-3-yl)-1-[4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 66747661
[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 71836800
4-fluoro-N-[2-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 56654151
[4-[6-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 83285223

Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 66747951) is [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCN(c2cc(OC3CCC3)ncn2)CC1.
What is the InChIKey of [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is ZGHIRAXLKRZIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-15-6-4-14(5-7-15)19(25)24-10-8-23(9-11-24)17-12-18(22-13-21-17)26-16-2-1-3-16/h4-7,12-13,16H,1-3,8-11H2.
What are the key properties of [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 356.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 66747951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).