4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine

C15H20N4 — CID 80817498

IUPAC4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCc1ccc(N(C)c2nc(C)nc(N)c2C)cc1
InChIInChI=1S/C15H20N4/c1-5-12-6-8-13(9-7-12)19(4)15-10(2)14(16)17-11(3)18-15/h6-9H,5H2,1-4H3,(H2,16,17,18)
InChIKeyAGVDPHIYPJTOEU-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.01
Rot. Bonds3

About 4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80817498) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID80817498
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCc1ccc(N(C)c2nc(C)nc(N)c2C)cc1
InChIInChI=1S/C15H20N4/c1-5-12-6-8-13(9-7-12)19(4)15-10(2)14(16)17-11(3)18-15/h6-9H,5H2,1-4H3,(H2,16,17,18)
InChIKeyAGVDPHIYPJTOEU-UHFFFAOYSA-N
XLogP3.01
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80984675
4-N-(3,5-dimethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80818222
4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80794484
4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
CID 62001857
4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine
CID 62003302
4-N-(4-ethylphenyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80817574
2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 80983282
methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate
CID 114406277
4-N-(4-fluorophenyl)-4-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983260
4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80816371
3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 81038178
6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80816769

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine (CID 80817498) is 4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine is CCc1ccc(N(C)c2nc(C)nc(N)c2C)cc1.
What is the InChIKey of 4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is AGVDPHIYPJTOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-5-12-6-8-13(9-7-12)19(4)15-10(2)14(16)17-11(3)18-15/h6-9H,5H2,1-4H3,(H2,16,17,18).
What are the key properties of 4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80817498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).