4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine

C14H18N4 — CID 2761111

IUPAC4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine
SMILESCCN(c1ccc(N)cc1)c1nc(C)cc(C)n1
InChIInChI=1S/C14H18N4/c1-4-18(13-7-5-12(15)6-8-13)14-16-10(2)9-11(3)17-14/h5-9H,4,15H2,1-3H3
InChIKeyHVCMPZYQDQNWBN-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.83
Rot. Bonds3

About 4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine

4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine (PubChem CID 2761111) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine
PubChem CID2761111
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine
SMILESCCN(c1ccc(N)cc1)c1nc(C)cc(C)n1
InChIInChI=1S/C14H18N4/c1-4-18(13-7-5-12(15)6-8-13)14-16-10(2)9-11(3)17-14/h5-9H,4,15H2,1-3H3
InChIKeyHVCMPZYQDQNWBN-UHFFFAOYSA-N
XLogP2.83
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine (CID 2761111) is 4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine is CCN(c1ccc(N)cc1)c1nc(C)cc(C)n1.
What is the InChIKey of 4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine?
The InChIKey is HVCMPZYQDQNWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-4-18(13-7-5-12(15)6-8-13)14-16-10(2)9-11(3)17-14/h5-9H,4,15H2,1-3H3.
What are the key properties of 4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine?
4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine is sourced from PubChem (CID 2761111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).