N,4-dimethyl-6-(6-methylnaphthalen-2-yl)pyrimidin-2-amine

C17H17N3 — CID 116894674

IUPACN,4-dimethyl-6-(6-methylnaphthalen-2-yl)pyrimidin-2-amine
SMILESCNc1nc(C)cc(-c2ccc3cc(C)ccc3c2)n1
InChIInChI=1S/C17H17N3/c1-11-4-5-14-10-15(7-6-13(14)8-11)16-9-12(2)19-17(18-3)20-16/h4-10H,1-3H3,(H,18,19,20)
InChIKeyGVWRZJPZPARYHT-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.96
Rot. Bonds2

About N,4-dimethyl-6-(6-methylnaphthalen-2-yl)pyrimidin-2-amine

N,4-dimethyl-6-(6-methylnaphthalen-2-yl)pyrimidin-2-amine (PubChem CID 116894674) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N,4-dimethyl-6-(6-methylnaphthalen-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-(6-methylnaphthalen-2-yl)pyrimidin-2-amine
PubChem CID116894674
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN,4-dimethyl-6-(6-methylnaphthalen-2-yl)pyrimidin-2-amine
SMILESCNc1nc(C)cc(-c2ccc3cc(C)ccc3c2)n1
InChIInChI=1S/C17H17N3/c1-11-4-5-14-10-15(7-6-13(14)8-11)16-9-12(2)19-17(18-3)20-16/h4-10H,1-3H3,(H,18,19,20)
InChIKeyGVWRZJPZPARYHT-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-(6-methylnaphthalen-2-yl)pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-6-(6-methylnaphthalen-2-yl)pyrimidin-2-amine (CID 116894674) is N,4-dimethyl-6-(6-methylnaphthalen-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-6-(6-methylnaphthalen-2-yl)pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-6-(6-methylnaphthalen-2-yl)pyrimidin-2-amine is CNc1nc(C)cc(-c2ccc3cc(C)ccc3c2)n1.
What is the InChIKey of N,4-dimethyl-6-(6-methylnaphthalen-2-yl)pyrimidin-2-amine?
The InChIKey is GVWRZJPZPARYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11-4-5-14-10-15(7-6-13(14)8-11)16-9-12(2)19-17(18-3)20-16/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of N,4-dimethyl-6-(6-methylnaphthalen-2-yl)pyrimidin-2-amine?
N,4-dimethyl-6-(6-methylnaphthalen-2-yl)pyrimidin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-(6-methylnaphthalen-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 116894674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).