6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine

C16H22N4 — CID 80826850

IUPAC6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCc2cccc(C)c2)c1C
InChIInChI=1S/C16H22N4/c1-4-17-15-13(3)16(20-11-19-15)18-9-8-14-7-5-6-12(2)10-14/h5-7,10-11H,4,8-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyRDPXNNXKHZIDLS-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.18
Rot. Bonds6

About 6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80826850) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID80826850
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCc2cccc(C)c2)c1C
InChIInChI=1S/C16H22N4/c1-4-17-15-13(3)16(20-11-19-15)18-9-8-14-7-5-6-12(2)10-14/h5-7,10-11H,4,8-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyRDPXNNXKHZIDLS-UHFFFAOYSA-N
XLogP3.18
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794560
6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791987
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
CID 62314113
N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832435
5-bromo-2-N-ethyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826619
5-buta-2,3-dien-2-yl-6-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 89092377
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794434
4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80763023
N,5-diethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 80888888
6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772452
5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826733
3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]benzonitrile
CID 80826065

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine (CID 80826850) is 6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine is CCNc1ncnc(NCCc2cccc(C)c2)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is RDPXNNXKHZIDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-17-15-13(3)16(20-11-19-15)18-9-8-14-7-5-6-12(2)10-14/h5-7,10-11H,4,8-9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80826850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).