6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine

C17H24N4 — CID 80836692

IUPAC6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NCCc2ccccc2C)c1C
InChIInChI=1S/C17H24N4/c1-5-18-16-13(3)17(21-14(4)20-16)19-11-10-15-9-7-6-8-12(15)2/h6-9H,5,10-11H2,1-4H3,(H2,18,19,20,21)
InChIKeyMZIBOIJUNGKLJU-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.49
Rot. Bonds6

About 6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine

6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80836692) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID80836692
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NCCc2ccccc2C)c1C
InChIInChI=1S/C17H24N4/c1-5-18-16-13(3)17(21-14(4)20-16)19-11-10-15-9-7-6-8-12(15)2/h6-9H,5,10-11H2,1-4H3,(H2,18,19,20,21)
InChIKeyMZIBOIJUNGKLJU-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
CID 80783110
4-N-[2-(2-fluorophenyl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80786040
6-N,2-diethyl-5-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80985830
6-hydrazinyl-5-methyl-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 80930265
6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 79749151
4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 106761016
5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 31536211
4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80777604
4-N,6-N-diethyl-2,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 80757142
5-amino-6-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 103468756
6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine
CID 115320941
6-N-ethyl-2-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80790221

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine (CID 80836692) is 6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine is CCNc1nc(C)nc(NCCc2ccccc2C)c1C.
What is the InChIKey of 6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is MZIBOIJUNGKLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-18-16-13(3)17(21-14(4)20-16)19-11-10-15-9-7-6-8-12(15)2/h6-9H,5,10-11H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine?
6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80836692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).