(2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone

C22H20F2N4O2 — CID 42473437

IUPAC(2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(Oc2ccccc2)cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1
InChIInChI=1S/C22H20F2N4O2/c1-15-25-19(14-20(26-15)30-16-6-3-2-4-7-16)27-10-12-28(13-11-27)22(29)21-17(23)8-5-9-18(21)24/h2-9,14H,10-13H2,1H3
InChIKeyAVRKKWBJTYCDRP-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.82
Rot. Bonds4

About (2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone

(2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 42473437) has the molecular formula C22H20F2N4O2 and a molecular weight of 410.42 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID42473437
Molecular FormulaC22H20F2N4O2
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC Name(2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(Oc2ccccc2)cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1
InChIInChI=1S/C22H20F2N4O2/c1-15-25-19(14-20(26-15)30-16-6-3-2-4-7-16)27-10-12-28(13-11-27)22(29)21-17(23)8-5-9-18(21)24/h2-9,14H,10-13H2,1H3
InChIKeyAVRKKWBJTYCDRP-UHFFFAOYSA-N
XLogP3.82
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 122332488
(4-methoxyphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473413
[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122332504
(2,4-dimethylphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 121035088
(3,4-dimethylphenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 121035067
(5-methyl-1,2-oxazol-3-yl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332554
3,3,3-trifluoro-1-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122332633
(5-bromo-3-pyridinyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332518
3-(3-chloro-4-fluorophenyl)-1-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122332655
[3-(4-fluorophenoxy)phenyl]-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332411
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332622
4-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-6-phenoxypyrimidine
CID 121035218

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone (CID 42473437) is (2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1.
What is the InChIKey of (2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is AVRKKWBJTYCDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2/c1-15-25-19(14-20(26-15)30-16-6-3-2-4-7-16)27-10-12-28(13-11-27)22(29)21-17(23)8-5-9-18(21)24/h2-9,14H,10-13H2,1H3.
What are the key properties of (2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone?
(2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 410.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 42473437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).