6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine

C17H24N4 — CID 80981798

IUPAC6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(Nc2cccc(CC)c2)c1C
InChIInChI=1S/C17H24N4/c1-5-13-9-8-10-14(11-13)19-17-12(4)16(18-7-3)20-15(6-2)21-17/h8-11H,5-7H2,1-4H3,(H2,18,19,20,21)
InChIKeyAENVQFUNQVEOKX-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.09
Rot. Bonds6

About 6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine

6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80981798) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80981798
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(Nc2cccc(CC)c2)c1C
InChIInChI=1S/C17H24N4/c1-5-13-9-8-10-14(11-13)19-17-12(4)16(18-7-3)20-15(6-2)21-17/h8-11H,5-7H2,1-4H3,(H2,18,19,20,21)
InChIKeyAENVQFUNQVEOKX-UHFFFAOYSA-N
XLogP4.09
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80985283
2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981560
4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 115379613
6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80971019
6-N,2-diethyl-5-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80980974
6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63549060
2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80976619
3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535423
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
6-N,2-diethyl-5-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80985830
2-ethyl-5-methyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980584
5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine
CID 86661943

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine (CID 80981798) is 6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine is CCNc1nc(CC)nc(Nc2cccc(CC)c2)c1C.
What is the InChIKey of 6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is AENVQFUNQVEOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-13-9-8-10-14(11-13)19-17-12(4)16(18-7-3)20-15(6-2)21-17/h8-11H,5-7H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80981798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).