6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine

C17H18N4 — CID 80768828

IUPAC6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2cccc3ccccc23)c1C
InChIInChI=1S/C17H18N4/c1-3-18-16-12(2)17(20-11-19-16)21-15-10-6-8-13-7-4-5-9-14(13)15/h4-11H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyYFBDMLSTGSQITP-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.11
Rot. Bonds4

About 6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine (PubChem CID 80768828) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
PubChem CID80768828
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2cccc3ccccc23)c1C
InChIInChI=1S/C17H18N4/c1-3-18-16-12(2)17(20-11-19-16)21-15-10-6-8-13-7-4-5-9-14(13)15/h4-11H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyYFBDMLSTGSQITP-UHFFFAOYSA-N
XLogP4.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
CID 80807254
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053
4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80763023
6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
CID 19145042
4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135206
4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80789872
6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 19142376
4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80751666
6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80761579
6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine
CID 63734571
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22540502
4-N-(4-methyl-2-pyridinyl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545164

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine (CID 80768828) is 6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine is CCNc1ncnc(Nc2cccc3ccccc23)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine?
The InChIKey is YFBDMLSTGSQITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-18-16-12(2)17(20-11-19-16)21-15-10-6-8-13-7-4-5-9-14(13)15/h4-11H,3H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine has a molecular weight of 278.36 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80768828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).