[1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine

C17H21FN4 — CID 56768235

IUPAC[1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine
SMILESCc1cc(N2CCC(CN)CC2)nc(-c2ccccc2F)n1
InChIInChI=1S/C17H21FN4/c1-12-10-16(22-8-6-13(11-19)7-9-22)21-17(20-12)14-4-2-3-5-15(14)18/h2-5,10,13H,6-9,11,19H2,1H3
InChIKeyZPKDPTAUTJZCES-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.77
Rot. Bonds3

About [1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine

[1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine (PubChem CID 56768235) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is [1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine
PubChem CID56768235
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC Name[1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine
SMILESCc1cc(N2CCC(CN)CC2)nc(-c2ccccc2F)n1
InChIInChI=1S/C17H21FN4/c1-12-10-16(22-8-6-13(11-19)7-9-22)21-17(20-12)14-4-2-3-5-15(14)18/h2-5,10,13H,6-9,11,19H2,1H3
InChIKeyZPKDPTAUTJZCES-UHFFFAOYSA-N
XLogP2.77
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-fluorophenyl)-6-phenylpyrimidin-4-yl]pyrrolidin-3-amine
CID 56768031
(4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine
CID 95723048
[1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine
CID 71564106
[1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine
CID 56768291
1-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperidin-4-amine
CID 56767077
methyl 2-[(3S)-1-[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetate
CID 136699242
N-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910692
[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 97162738
[1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid
CID 67136127
2-[4-methyl-6-[4-[[(3S)-oxolan-3-yl]methylamino]piperidin-1-yl]pyrimidin-2-yl]phenol
CID 136831945
2-(2-chlorophenyl)-4-methyl-6-piperazin-1-ylpyrimidine
CID 82169345
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133330878

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine (CID 56768235) is [1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine is Cc1cc(N2CCC(CN)CC2)nc(-c2ccccc2F)n1.
What is the InChIKey of [1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine?
The InChIKey is ZPKDPTAUTJZCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c1-12-10-16(22-8-6-13(11-19)7-9-22)21-17(20-12)14-4-2-3-5-15(14)18/h2-5,10,13H,6-9,11,19H2,1H3.
What are the key properties of [1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine?
[1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine has a molecular weight of 300.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-fluorophenyl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 56768235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).