4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine

C17H16FN3 — CID 15435579

IUPAC4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine
SMILESCCCc1cc(-c2ccc(F)c3ccccc23)nc(N)n1
InChIInChI=1S/C17H16FN3/c1-2-5-11-10-16(21-17(19)20-11)14-8-9-15(18)13-7-4-3-6-12(13)14/h3-4,6-10H,2,5H2,1H3,(H2,19,20,21)
InChIKeyRBLSVBAMAVQRGF-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.97
Rot. Bonds3

About 4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine

4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine (PubChem CID 15435579) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine
PubChem CID15435579
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine
SMILESCCCc1cc(-c2ccc(F)c3ccccc23)nc(N)n1
InChIInChI=1S/C17H16FN3/c1-2-5-11-10-16(21-17(19)20-11)14-8-9-15(18)13-7-4-3-6-12(13)14/h3-4,6-10H,2,5H2,1H3,(H2,19,20,21)
InChIKeyRBLSVBAMAVQRGF-UHFFFAOYSA-N
XLogP3.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine?
The IUPAC name of 4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine (CID 15435579) is 4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine?
The canonical SMILES for 4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine is CCCc1cc(-c2ccc(F)c3ccccc23)nc(N)n1.
What is the InChIKey of 4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine?
The InChIKey is RBLSVBAMAVQRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-2-5-11-10-16(21-17(19)20-11)14-8-9-15(18)13-7-4-3-6-12(13)14/h3-4,6-10H,2,5H2,1H3,(H2,19,20,21).
What are the key properties of 4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine?
4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine has a molecular weight of 281.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine is sourced from PubChem (CID 15435579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).