2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine

C15H20N4 — CID 80801501

IUPAC2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(NC(C)c2ccccc2C)n1
InChIInChI=1S/C15H20N4/c1-4-16-15-17-10-9-14(19-15)18-12(3)13-8-6-5-7-11(13)2/h5-10,12H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyNCKBWNZAJGLORM-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.39
Rot. Bonds5

About 2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine

2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80801501) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID80801501
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(NC(C)c2ccccc2C)n1
InChIInChI=1S/C15H20N4/c1-4-16-15-17-10-9-14(19-15)18-12(3)13-8-6-5-7-11(13)2/h5-10,12H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyNCKBWNZAJGLORM-UHFFFAOYSA-N
XLogP3.39
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80800278
2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801576
2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790438
2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112881992
4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112883490
2-N-ethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
CID 80786237
2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80808164
4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine
CID 80807193
1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783678
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80802333

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine (CID 80801501) is 2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine is CCNc1nccc(NC(C)c2ccccc2C)n1.
What is the InChIKey of 2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is NCKBWNZAJGLORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-4-16-15-17-10-9-14(19-15)18-12(3)13-8-6-5-7-11(13)2/h5-10,12H,4H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80801501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).