1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine

C16H19FN4 — CID 117212294

IUPAC1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine
SMILESCc1nc(-c2ccc(F)cc2)ncc1N1CCC(N)CC1
InChIInChI=1S/C16H19FN4/c1-11-15(21-8-6-14(18)7-9-21)10-19-16(20-11)12-2-4-13(17)5-3-12/h2-5,10,14H,6-9,18H2,1H3
InChIKeyOVPPIKHSOKJXJO-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.52
Rot. Bonds2

About 1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine

1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine (PubChem CID 117212294) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine
PubChem CID117212294
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine
SMILESCc1nc(-c2ccc(F)cc2)ncc1N1CCC(N)CC1
InChIInChI=1S/C16H19FN4/c1-11-15(21-8-6-14(18)7-9-21)10-19-16(20-11)12-2-4-13(17)5-3-12/h2-5,10,14H,6-9,18H2,1H3
InChIKeyOVPPIKHSOKJXJO-UHFFFAOYSA-N
XLogP2.52
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-ethyl-2-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine
CID 117212039
2-[5-(4-aminopiperidin-1-yl)-4-methylpyrimidin-2-yl]phenol
CID 136934608
1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine
CID 117211255
1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine
CID 117212035
4-ethyl-2-(4-fluorophenyl)-5-piperazin-1-ylpyrimidine
CID 117212241
1-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine
CID 56767166
1-(4-fluorophenyl)piperidin-4-amine;hydrochloride
CID 53442031
1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine
CID 107514198
5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one
CID 117211273
(1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431586
1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
1-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperidin-4-amine
CID 56767077

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine?
The IUPAC name of 1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine (CID 117212294) is 1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine?
The canonical SMILES for 1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine is Cc1nc(-c2ccc(F)cc2)ncc1N1CCC(N)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine?
The InChIKey is OVPPIKHSOKJXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-11-15(21-8-6-14(18)7-9-21)10-19-16(20-11)12-2-4-13(17)5-3-12/h2-5,10,14H,6-9,18H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine?
1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine has a molecular weight of 286.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]piperidin-4-amine is sourced from PubChem (CID 117212294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).