(2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C20H24FN5O2 — CID 46267906

IUPAC(2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C20H24FN5O2/c1-15-22-18(14-19(23-15)25-10-12-28-13-11-25)24-6-8-26(9-7-24)20(27)16-4-2-3-5-17(16)21/h2-5,14H,6-13H2,1H3
InChIKeySOQCCERRNCHCNB-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.72
Rot. Bonds3

About (2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 46267906) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID46267906
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name(2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C20H24FN5O2/c1-15-22-18(14-19(23-15)25-10-12-28-13-11-25)24-6-8-26(9-7-24)20(27)16-4-2-3-5-17(16)21/h2-5,14H,6-13H2,1H3
InChIKeySOQCCERRNCHCNB-UHFFFAOYSA-N
XLogP1.72
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748400
[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 122340857
(4-chlorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267909
1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone
CID 122340897
(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765021
(4-bromophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748441
(5-fluoro-3-pyridinyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122340903
(2,4-difluorophenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700346
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 56699579
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122340045
(3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122340576
(4-ethylphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699890

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 46267906) is (2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccccc3F)CC2)n1.
What is the InChIKey of (2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is SOQCCERRNCHCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-15-22-18(14-19(23-15)25-10-12-28-13-11-25)24-6-8-26(9-7-24)20(27)16-4-2-3-5-17(16)21/h2-5,14H,6-13H2,1H3.
What are the key properties of (2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 385.44 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 46267906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).