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

C15H20N4O — CID 80825171

IUPAC6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2ccc(OC)cc2C)c1C
InChIInChI=1S/C15H20N4O/c1-5-16-14-11(3)15(18-9-17-14)19-13-7-6-12(20-4)8-10(13)2/h6-9H,5H2,1-4H3,(H2,16,17,18,19)
InChIKeyPCFOWQPJZSPGDN-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.28
Rot. Bonds5

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

6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80825171) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80825171
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2ccc(OC)cc2C)c1C
InChIInChI=1S/C15H20N4O/c1-5-16-14-11(3)15(18-9-17-14)19-13-7-6-12(20-4)8-10(13)2/h6-9H,5H2,1-4H3,(H2,16,17,18,19)
InChIKeyPCFOWQPJZSPGDN-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80804662
6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80761579
5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80824993
4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80825505
4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80763023
6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine
CID 63024300
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80769342
4-N-(4-bromo-2-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80759265
6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63272259
3-bromo-4-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]benzonitrile
CID 107795355

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine (CID 80825171) is 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine is CCNc1ncnc(Nc2ccc(OC)cc2C)c1C.
What is the InChIKey of 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is PCFOWQPJZSPGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-5-16-14-11(3)15(18-9-17-14)19-13-7-6-12(20-4)8-10(13)2/h6-9H,5H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80825171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).