4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine

C15H20N4 — CID 80754573

IUPAC4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1cc(C)nc(NC)n1
InChIInChI=1S/C15H20N4/c1-4-19(11-13-8-6-5-7-9-13)14-10-12(2)17-15(16-3)18-14/h5-10H,4,11H2,1-3H3,(H,16,17,18)
InChIKeyNFVJSIWPLUMVKP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.85
Rot. Bonds5

About 4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine

4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 80754573) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID80754573
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1cc(C)nc(NC)n1
InChIInChI=1S/C15H20N4/c1-4-19(11-13-8-6-5-7-9-13)14-10-12(2)17-15(16-3)18-14/h5-10H,4,11H2,1-3H3,(H,16,17,18)
InChIKeyNFVJSIWPLUMVKP-UHFFFAOYSA-N
XLogP2.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-4-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112918908
4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915931
4-N-benzyl-4-N-ethyl-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918940
4-N-benzyl-2-N-(3-chloro-4-methylphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918933
4-N-benzyl-2-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918934
4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918947
4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80774522
4-N-benzyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918971
2-(azepan-1-yl)-N-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 112918906
4-N-benzyl-2-N-butyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112918901
5-N-benzyl-5-N-ethyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951614
3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80806847

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine (CID 80754573) is 4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine is CCN(Cc1ccccc1)c1cc(C)nc(NC)n1.
What is the InChIKey of 4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is NFVJSIWPLUMVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-4-19(11-13-8-6-5-7-9-13)14-10-12(2)17-15(16-3)18-14/h5-10H,4,11H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine?
4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80754573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).