4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine

C17H18N4 — CID 80756513

IUPAC4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
SMILESCCN(c1cc(NC)ncn1)c1cccc2ccccc12
InChIInChI=1S/C17H18N4/c1-3-21(17-11-16(18-2)19-12-20-17)15-10-6-8-13-7-4-5-9-14(13)15/h4-12H,3H2,1-2H3,(H,18,19,20)
InChIKeyWCQUECJATAWMLG-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.83
Rot. Bonds4

About 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine

4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine (PubChem CID 80756513) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
PubChem CID80756513
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
SMILESCCN(c1cc(NC)ncn1)c1cccc2ccccc12
InChIInChI=1S/C17H18N4/c1-3-21(17-11-16(18-2)19-12-20-17)15-10-6-8-13-7-4-5-9-14(13)15/h4-12H,3H2,1-2H3,(H,18,19,20)
InChIKeyWCQUECJATAWMLG-UHFFFAOYSA-N
XLogP3.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine
CID 115416248
2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine
CID 80756634
4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545734
N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80908328
5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine
CID 114870225
4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80767008
2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 62338500
N-ethyl-N-phenylnaphthalen-1-amine;methane
CID 143268632
2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 116796277
5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 66341940
6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863776
6-ethoxy-N-ethyl-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 23484492

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine (CID 80756513) is 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine is CCN(c1cc(NC)ncn1)c1cccc2ccccc12.
What is the InChIKey of 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine?
The InChIKey is WCQUECJATAWMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-21(17-11-16(18-2)19-12-20-17)15-10-6-8-13-7-4-5-9-14(13)15/h4-12H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine?
4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80756513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).