N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine

C15H20N4 — CID 75415758

IUPACN'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine
SMILESCCN(CCNc1ncccn1)c1ccccc1C
InChIInChI=1S/C15H20N4/c1-3-19(14-8-5-4-7-13(14)2)12-11-18-15-16-9-6-10-17-15/h4-10H,3,11-12H2,1-2H3,(H,16,17,18)
InChIKeyAJIOHPGBZCMIKJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.72
Rot. Bonds6

About N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine

N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine (PubChem CID 75415758) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine
PubChem CID75415758
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine
SMILESCCN(CCNc1ncccn1)c1ccccc1C
InChIInChI=1S/C15H20N4/c1-3-19(14-8-5-4-7-13(14)2)12-11-18-15-16-9-6-10-17-15/h4-10H,3,11-12H2,1-2H3,(H,16,17,18)
InChIKeyAJIOHPGBZCMIKJ-UHFFFAOYSA-N
XLogP2.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine (CID 75415758) is N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine is CCN(CCNc1ncccn1)c1ccccc1C.
What is the InChIKey of N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine?
The InChIKey is AJIOHPGBZCMIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-19(14-8-5-4-7-13(14)2)12-11-18-15-16-9-6-10-17-15/h4-10H,3,11-12H2,1-2H3,(H,16,17,18).
What are the key properties of N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine?
N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine is sourced from PubChem (CID 75415758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).