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

C18H19N3 — CID 80970250

IUPAC2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(-c2cccc3ccccc23)n1
InChIInChI=1S/C18H19N3/c1-4-16-20-17(12(2)18(19-3)21-16)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,4H2,1-3H3,(H,19,20,21)
InChIKeyHGTNMJKNVDHBMM-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.21
Rot. Bonds3

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

2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine (PubChem CID 80970250) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine
PubChem CID80970250
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(-c2cccc3ccccc23)n1
InChIInChI=1S/C18H19N3/c1-4-16-20-17(12(2)18(19-3)21-16)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,4H2,1-3H3,(H,19,20,21)
InChIKeyHGTNMJKNVDHBMM-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine (CID 80970250) is 2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine is CCc1nc(NC)c(C)c(-c2cccc3ccccc23)n1.
What is the InChIKey of 2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine?
The InChIKey is HGTNMJKNVDHBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-4-16-20-17(12(2)18(19-3)21-16)15-11-7-9-13-8-5-6-10-14(13)15/h5-11H,4H2,1-3H3,(H,19,20,21).
What are the key properties of 2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine?
2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine is sourced from PubChem (CID 80970250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).