N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine

C18H23FN4 — CID 118722365

IUPACN-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nc(N2CCCCC2)nc(NCc2ccc(F)cc2)c1C
InChIInChI=1S/C18H23FN4/c1-13-14(2)21-18(23-10-4-3-5-11-23)22-17(13)20-12-15-6-8-16(19)9-7-15/h6-9H,3-5,10-12H2,1-2H3,(H,20,21,22)
InChIKeyNRZLHZVBVYOFGY-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.83
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine

N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 118722365) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID118722365
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC NameN-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nc(N2CCCCC2)nc(NCc2ccc(F)cc2)c1C
InChIInChI=1S/C18H23FN4/c1-13-14(2)21-18(23-10-4-3-5-11-23)22-17(13)20-12-15-6-8-16(19)9-7-15/h6-9H,3-5,10-12H2,1-2H3,(H,20,21,22)
InChIKeyNRZLHZVBVYOFGY-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine (CID 118722365) is N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine is Cc1nc(N2CCCCC2)nc(NCc2ccc(F)cc2)c1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is NRZLHZVBVYOFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-13-14(2)21-18(23-10-4-3-5-11-23)22-17(13)20-12-15-6-8-16(19)9-7-15/h6-9H,3-5,10-12H2,1-2H3,(H,20,21,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 314.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 118722365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).