5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine

C15H20N4O — CID 80824993

IUPAC5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1ccc(OC)cc1C
InChIInChI=1S/C15H20N4O/c1-5-12-14(16-3)17-9-18-15(12)19-13-7-6-11(20-4)8-10(13)2/h6-9H,5H2,1-4H3,(H2,16,17,18,19)
InChIKeyYFIONCQHGSJLGW-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.14
Rot. Bonds5

About 5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine

5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80824993) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80824993
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1ccc(OC)cc1C
InChIInChI=1S/C15H20N4O/c1-5-12-14(16-3)17-9-18-15(12)19-13-7-6-11(20-4)8-10(13)2/h6-9H,5H2,1-4H3,(H2,16,17,18,19)
InChIKeyYFIONCQHGSJLGW-UHFFFAOYSA-N
XLogP3.14
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine
CID 80805047
5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80854900
5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760040
4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80825505
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80825171
N-(2,4-dimethoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80913595
5-ethyl-4-N-(4-methoxy-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80802280
4-N-(5-bromo-2-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80804931
N-(2-bromo-5-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924194
4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80769342
6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine
CID 63024300
6-chloro-N-(2,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63734399

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine (CID 80824993) is 5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1Nc1ccc(OC)cc1C.
What is the InChIKey of 5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is YFIONCQHGSJLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-5-12-14(16-3)17-9-18-15(12)19-13-7-6-11(20-4)8-10(13)2/h6-9H,5H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine?
5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80824993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).