6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine

C17H22FN3 — CID 79691423

IUPAC6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2cc(C)cc(F)c2)c1CCC
InChIInChI=1S/C17H22FN3/c1-4-6-15-16(13-8-12(3)9-14(18)10-13)20-11-21-17(15)19-7-5-2/h8-11H,4-7H2,1-3H3,(H,19,20,21)
InChIKeyIBFBFUCMOCZCDH-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.37
Rot. Bonds6

About 6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine

6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine (PubChem CID 79691423) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine
PubChem CID79691423
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2cc(C)cc(F)c2)c1CCC
InChIInChI=1S/C17H22FN3/c1-4-6-15-16(13-8-12(3)9-14(18)10-13)20-11-21-17(15)19-7-5-2/h8-11H,4-7H2,1-3H3,(H,19,20,21)
InChIKeyIBFBFUCMOCZCDH-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine (CID 79691423) is 6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine is CCCNc1ncnc(-c2cc(C)cc(F)c2)c1CCC.
What is the InChIKey of 6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine?
The InChIKey is IBFBFUCMOCZCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-4-6-15-16(13-8-12(3)9-14(18)10-13)20-11-21-17(15)19-7-5-2/h8-11H,4-7H2,1-3H3,(H,19,20,21).
What are the key properties of 6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine?
6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine has a molecular weight of 287.38 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine is sourced from PubChem (CID 79691423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).