4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine

C18H22FN3O — CID 21256796

IUPAC4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine
SMILESCc1nc(OCCN2CCCCC2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H22FN3O/c1-14-20-17(15-5-7-16(19)8-6-15)13-18(21-14)23-12-11-22-9-3-2-4-10-22/h5-8,13H,2-4,9-12H2,1H3
InChIKeyHHFKXZZJGUDASK-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.46
Rot. Bonds5

About 4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine

4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine (PubChem CID 21256796) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine
PubChem CID21256796
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine
SMILESCc1nc(OCCN2CCCCC2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H22FN3O/c1-14-20-17(15-5-7-16(19)8-6-15)13-18(21-14)23-12-11-22-9-3-2-4-10-22/h5-8,13H,2-4,9-12H2,1H3
InChIKeyHHFKXZZJGUDASK-UHFFFAOYSA-N
XLogP3.46
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride
CID 135549351
[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80920622
N-ethyl-2-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80870434
2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile
CID 114766899
4-(4-fluorophenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one
CID 53319915
(6aS)-3-[5-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]oxypentoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 10097006
5-chloro-2-(4-fluorophenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
CID 118723363
2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride
CID 142664558
N,4-dimethyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-amine
CID 80871543
4-(4-fluorophenyl)-5-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine
CID 21256782
1-[2-[4-(4-fluoro-3-methoxyphenyl)phenoxy]ethyl]pyrrolidine
CID 70094877
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine (CID 21256796) is 4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine is Cc1nc(OCCN2CCCCC2)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine?
The InChIKey is HHFKXZZJGUDASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-14-20-17(15-5-7-16(19)8-6-15)13-18(21-14)23-12-11-22-9-3-2-4-10-22/h5-8,13H,2-4,9-12H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine?
4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine has a molecular weight of 315.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidine is sourced from PubChem (CID 21256796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).