6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine

C17H17N3O — CID 80943062

IUPAC6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H17N3O/c1-2-5-16-19-15(18)11-17(20-16)21-14-9-8-12-6-3-4-7-13(12)10-14/h3-4,6-11H,2,5H2,1H3,(H2,18,19,20)
InChIKeyGCXWTFSQLZLTPY-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.96
Rot. Bonds4

About 6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine

6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine (PubChem CID 80943062) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine
PubChem CID80943062
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H17N3O/c1-2-5-16-19-15(18)11-17(20-16)21-14-9-8-12-6-3-4-7-13(12)10-14/h3-4,6-11H,2,5H2,1H3,(H2,18,19,20)
InChIKeyGCXWTFSQLZLTPY-UHFFFAOYSA-N
XLogP3.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine?
The IUPAC name of 6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine (CID 80943062) is 6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(Oc2ccc3ccccc3c2)n1.
What is the InChIKey of 6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine?
The InChIKey is GCXWTFSQLZLTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-5-16-19-15(18)11-17(20-16)21-14-9-8-12-6-3-4-7-13(12)10-14/h3-4,6-11H,2,5H2,1H3,(H2,18,19,20).
What are the key properties of 6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine?
6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine has a molecular weight of 279.34 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80943062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).