N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine

C15H18FN3 — CID 62192315

IUPACN,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(F)cc2)nc(C)c1CC
InChIInChI=1S/C15H18FN3/c1-4-13-10(3)18-14(19-15(13)17-5-2)11-6-8-12(16)9-7-11/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyAPSBUTDWOLCDCF-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.59
Rot. Bonds4

About N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine

N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine (PubChem CID 62192315) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine
PubChem CID62192315
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(F)cc2)nc(C)c1CC
InChIInChI=1S/C15H18FN3/c1-4-13-10(3)18-14(19-15(13)17-5-2)11-6-8-12(16)9-7-11/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyAPSBUTDWOLCDCF-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine (CID 62192315) is N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine is CCNc1nc(-c2ccc(F)cc2)nc(C)c1CC.
What is the InChIKey of N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine?
The InChIKey is APSBUTDWOLCDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-4-13-10(3)18-14(19-15(13)17-5-2)11-6-8-12(16)9-7-11/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine?
N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 62192315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).