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

C15H20N4 — CID 80763023

IUPAC4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2cc(C)ccc2C)c1C
InChIInChI=1S/C15H20N4/c1-5-16-14-12(4)15(18-9-17-14)19-13-8-10(2)6-7-11(13)3/h6-9H,5H2,1-4H3,(H2,16,17,18,19)
InChIKeyKXSHLFQKIQBTAR-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.58
Rot. Bonds4

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

4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80763023) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80763023
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2cc(C)ccc2C)c1C
InChIInChI=1S/C15H20N4/c1-5-16-14-12(4)15(18-9-17-14)19-13-8-10(2)6-7-11(13)3/h6-9H,5H2,1-4H3,(H2,16,17,18,19)
InChIKeyKXSHLFQKIQBTAR-UHFFFAOYSA-N
XLogP3.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 23485626
6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80761579
4-N-(2-methoxy-5-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80736748
6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine
CID 63735436
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80825171
6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80864233
4-N-(2,5-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80763434
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
6-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
CID 80768828
6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
CID 80807254
2-N-(2,5-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589380
4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547055

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (CID 80763023) is 4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is CCNc1ncnc(Nc2cc(C)ccc2C)c1C.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is KXSHLFQKIQBTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-5-16-14-12(4)15(18-9-17-14)19-13-8-10(2)6-7-11(13)3/h6-9H,5H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80763023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).