5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine

C18H23FN4 — CID 170925547

IUPAC5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine
SMILESCC(C)N1CCCC(Nc2ncc(-c3ccc(F)cc3)cn2)C1
InChIInChI=1S/C18H23FN4/c1-13(2)23-9-3-4-17(12-23)22-18-20-10-15(11-21-18)14-5-7-16(19)8-6-14/h5-8,10-11,13,17H,3-4,9,12H2,1-2H3,(H,20,21,22)
InChIKeyDOICHVAJKAAESP-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.57
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine

5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine (PubChem CID 170925547) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine
PubChem CID170925547
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine
SMILESCC(C)N1CCCC(Nc2ncc(-c3ccc(F)cc3)cn2)C1
InChIInChI=1S/C18H23FN4/c1-13(2)23-9-3-4-17(12-23)22-18-20-10-15(11-21-18)14-5-7-16(19)8-6-14/h5-8,10-11,13,17H,3-4,9,12H2,1-2H3,(H,20,21,22)
InChIKeyDOICHVAJKAAESP-UHFFFAOYSA-N
XLogP3.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenoxy)-1-propan-2-ylpiperidine
CID 138636971
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 42119873
N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072744
N-(5-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65073150
5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-2-amine
CID 170925598
N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 116974653
N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine
CID 65074388
N-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 82810949
5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole
CID 141100470
N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine
CID 116974683
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931
1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 52510251

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine (CID 170925547) is 5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine is CC(C)N1CCCC(Nc2ncc(-c3ccc(F)cc3)cn2)C1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine?
The InChIKey is DOICHVAJKAAESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-13(2)23-9-3-4-17(12-23)22-18-20-10-15(11-21-18)14-5-7-16(19)8-6-14/h5-8,10-11,13,17H,3-4,9,12H2,1-2H3,(H,20,21,22).
What are the key properties of 5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine?
5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine has a molecular weight of 314.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 170925547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).