4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine

C16H15N3O — CID 116900581

IUPAC4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2ccc3cc(OC)ccc3c2)n1
InChIInChI=1S/C16H15N3O/c1-17-16-18-8-7-15(19-16)13-4-3-12-10-14(20-2)6-5-11(12)9-13/h3-10H,1-2H3,(H,17,18,19)
InChIKeyKPOHLBXRNNOYLS-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.35
Rot. Bonds3

About 4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine

4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine (PubChem CID 116900581) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
PubChem CID116900581
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2ccc3cc(OC)ccc3c2)n1
InChIInChI=1S/C16H15N3O/c1-17-16-18-8-7-15(19-16)13-4-3-12-10-14(20-2)6-5-11(12)9-13/h3-10H,1-2H3,(H,17,18,19)
InChIKeyKPOHLBXRNNOYLS-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine (CID 116900581) is 4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine is CNc1nccc(-c2ccc3cc(OC)ccc3c2)n1.
What is the InChIKey of 4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine?
The InChIKey is KPOHLBXRNNOYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-17-16-18-8-7-15(19-16)13-4-3-12-10-14(20-2)6-5-11(12)9-13/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of 4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine?
4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 116900581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).