4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine

C16H22N4 — CID 80934313

IUPAC4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(C)cc(C)c2)nc(CC)n1
InChIInChI=1S/C16H22N4/c1-5-14-19-15(17-6-2)10-16(20-14)18-13-8-11(3)7-12(4)9-13/h7-10H,5-6H2,1-4H3,(H2,17,18,19,20)
InChIKeyTUJOCRJHUKZIHA-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.83
Rot. Bonds5

About 4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine

4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine (PubChem CID 80934313) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
PubChem CID80934313
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(C)cc(C)c2)nc(CC)n1
InChIInChI=1S/C16H22N4/c1-5-14-19-15(17-6-2)10-16(20-14)18-13-8-11(3)7-12(4)9-13/h7-10H,5-6H2,1-4H3,(H2,17,18,19,20)
InChIKeyTUJOCRJHUKZIHA-UHFFFAOYSA-N
XLogP3.83
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2-diethyl-4-N-(3-fluoro-4-methylphenyl)pyrimidine-4,6-diamine
CID 80933754
4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80941489
4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine
CID 80940477
6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933317
4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107608393
2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine
CID 102301037
4-N-(3-bromo-4-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80943742
4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 81272137
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940247
4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 99980348
4-N-(2,6-dichloro-4-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 83073328
6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80933584

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine (CID 80934313) is 4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine is CCNc1cc(Nc2cc(C)cc(C)c2)nc(CC)n1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
The InChIKey is TUJOCRJHUKZIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-14-19-15(17-6-2)10-16(20-14)18-13-8-11(3)7-12(4)9-13/h7-10H,5-6H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine?
4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-6-N,2-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).