N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine

C17H21FN4 — CID 133304646

IUPACN-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC2CCCN(c3ccc(F)cc3C)C2)n1
InChIInChI=1S/C17H21FN4/c1-12-10-14(18)5-6-16(12)22-9-3-4-15(11-22)21-17-19-8-7-13(2)20-17/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,19,20,21)
InChIKeyOSRJGBGWSMHFGQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.31
Rot. Bonds3

About N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine

N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine (PubChem CID 133304646) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine
PubChem CID133304646
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC NameN-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC2CCCN(c3ccc(F)cc3C)C2)n1
InChIInChI=1S/C17H21FN4/c1-12-10-14(18)5-6-16(12)22-9-3-4-15(11-22)21-17-19-8-7-13(2)20-17/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,19,20,21)
InChIKeyOSRJGBGWSMHFGQ-UHFFFAOYSA-N
XLogP3.31
TPSA41.05 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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 133325736
N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 56791945
1-(4-fluoro-2-methylphenyl)piperidin-3-amine
CID 54594111
methyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate
CID 133471435
(2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide
CID 119883938
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]acetamide
CID 119883950
[2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol
CID 154741364
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride
CID 119883913
1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine
CID 154807954
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120670287
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 124565601

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine (CID 133304646) is N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine is Cc1ccnc(NC2CCCN(c3ccc(F)cc3C)C2)n1.
What is the InChIKey of N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine?
The InChIKey is OSRJGBGWSMHFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c1-12-10-14(18)5-6-16(12)22-9-3-4-15(11-22)21-17-19-8-7-13(2)20-17/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,19,20,21).
What are the key properties of N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine?
N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine has a molecular weight of 300.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 133304646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).