4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine

C22H24FN5O — CID 133348256

IUPAC4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine
SMILESCCc1cc(N2CCN(c3ccc(OC)c(F)c3)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C22H24FN5O/c1-3-16-14-21(26-22(25-16)19-6-4-5-9-24-19)28-12-10-27(11-13-28)17-7-8-20(29-2)18(23)15-17/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyOALWPEOGOKRMII-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.58
Rot. Bonds5

About 4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine

4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine (PubChem CID 133348256) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine
PubChem CID133348256
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine
SMILESCCc1cc(N2CCN(c3ccc(OC)c(F)c3)CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C22H24FN5O/c1-3-16-14-21(26-22(25-16)19-6-4-5-9-24-19)28-12-10-27(11-13-28)17-7-8-20(29-2)18(23)15-17/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyOALWPEOGOKRMII-UHFFFAOYSA-N
XLogP3.58
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133294367
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-(6-methylpyridazin-3-yl)-1,4-diazepane
CID 133294829
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133291472
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 133294868
4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine
CID 133295051
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane
CID 133394955
2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
CID 133294593
8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 133298055
2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 133294894
3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile
CID 133294715
[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 133290790
4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
CID 58137118

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine (CID 133348256) is 4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine is CCc1cc(N2CCN(c3ccc(OC)c(F)c3)CC2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine?
The InChIKey is OALWPEOGOKRMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-3-16-14-21(26-22(25-16)19-6-4-5-9-24-19)28-12-10-27(11-13-28)17-7-8-20(29-2)18(23)15-17/h4-9,14-15H,3,10-13H2,1-2H3.
What are the key properties of 4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine?
4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine has a molecular weight of 393.47 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 133348256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).