4-(4-methylpyrimidin-2-yl)oxynaphthalen-1-amine

C15H13N3O — CID 55225577

IUPAC4-(4-methylpyrimidin-2-yl)oxynaphthalen-1-amine
SMILESCc1ccnc(Oc2ccc(N)c3ccccc23)n1
InChIInChI=1S/C15H13N3O/c1-10-8-9-17-15(18-10)19-14-7-6-13(16)11-4-2-3-5-12(11)14/h2-9H,16H2,1H3
InChIKeyWUMWWFPQZHRPRL-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.31
Rot. Bonds2

About 4-(4-methylpyrimidin-2-yl)oxynaphthalen-1-amine

4-(4-methylpyrimidin-2-yl)oxynaphthalen-1-amine (PubChem CID 55225577) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(4-methylpyrimidin-2-yl)oxynaphthalen-1-amine.

Molecular Properties

Compound Name4-(4-methylpyrimidin-2-yl)oxynaphthalen-1-amine
PubChem CID55225577
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-(4-methylpyrimidin-2-yl)oxynaphthalen-1-amine
SMILESCc1ccnc(Oc2ccc(N)c3ccccc23)n1
InChIInChI=1S/C15H13N3O/c1-10-8-9-17-15(18-10)19-14-7-6-13(16)11-4-2-3-5-12(11)14/h2-9H,16H2,1H3
InChIKeyWUMWWFPQZHRPRL-UHFFFAOYSA-N
XLogP3.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrimidin-2-yl)oxynaphthalen-1-amine?
The IUPAC name of 4-(4-methylpyrimidin-2-yl)oxynaphthalen-1-amine (CID 55225577) is 4-(4-methylpyrimidin-2-yl)oxynaphthalen-1-amine.
What is the SMILES notation for 4-(4-methylpyrimidin-2-yl)oxynaphthalen-1-amine?
The canonical SMILES for 4-(4-methylpyrimidin-2-yl)oxynaphthalen-1-amine is Cc1ccnc(Oc2ccc(N)c3ccccc23)n1.
What is the InChIKey of 4-(4-methylpyrimidin-2-yl)oxynaphthalen-1-amine?
The InChIKey is WUMWWFPQZHRPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-8-9-17-15(18-10)19-14-7-6-13(16)11-4-2-3-5-12(11)14/h2-9H,16H2,1H3.
What are the key properties of 4-(4-methylpyrimidin-2-yl)oxynaphthalen-1-amine?
4-(4-methylpyrimidin-2-yl)oxynaphthalen-1-amine has a molecular weight of 251.29 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrimidin-2-yl)oxynaphthalen-1-amine is sourced from PubChem (CID 55225577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).