N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine

C18H19N3 — CID 63486132

IUPACN-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc3ccccc23)nc(C)c1C
InChIInChI=1S/C18H19N3/c1-4-19-17-12(2)13(3)20-18(21-17)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,4H2,1-3H3,(H,19,20,21)
InChIKeyWLCVWJVSHKHMIH-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.35
Rot. Bonds3

About N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine

N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine (PubChem CID 63486132) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine
PubChem CID63486132
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc3ccccc23)nc(C)c1C
InChIInChI=1S/C18H19N3/c1-4-19-17-12(2)13(3)20-18(21-17)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,4H2,1-3H3,(H,19,20,21)
InChIKeyWLCVWJVSHKHMIH-UHFFFAOYSA-N
XLogP4.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine (CID 63486132) is N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine is CCNc1nc(-c2cccc3ccccc23)nc(C)c1C.
What is the InChIKey of N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine?
The InChIKey is WLCVWJVSHKHMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-4-19-17-12(2)13(3)20-18(21-17)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,4H2,1-3H3,(H,19,20,21).
What are the key properties of N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine?
N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine is sourced from PubChem (CID 63486132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).