2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine

C17H17N3 — CID 62203179

IUPAC2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3/c1-11(2)15-10-16(18)20-17(19-15)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyCMSZSKQDSWMREY-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.00
Rot. Bonds2

About 2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine

2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 62203179) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine
PubChem CID62203179
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3/c1-11(2)15-10-16(18)20-17(19-15)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyCMSZSKQDSWMREY-UHFFFAOYSA-N
XLogP4.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine (CID 62203179) is 2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(N)nc(-c2cccc3ccccc23)n1.
What is the InChIKey of 2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is CMSZSKQDSWMREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11(2)15-10-16(18)20-17(19-15)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H2,18,19,20).
What are the key properties of 2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine?
2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62203179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).