5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine

C13H17N5 — CID 80927591

IUPAC5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1ccc(C)cc1
InChIInChI=1S/C13H17N5/c1-3-11-12(15-8-16-13(11)18-14)17-10-6-4-9(2)5-7-10/h4-8H,3,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyOKMKEMCLFYTOJH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.38
Rot. Bonds4

About 5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine

5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 80927591) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine
PubChem CID80927591
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1ccc(C)cc1
InChIInChI=1S/C13H17N5/c1-3-11-12(15-8-16-13(11)18-14)17-10-6-4-9(2)5-7-10/h4-8H,3,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyOKMKEMCLFYTOJH-UHFFFAOYSA-N
XLogP2.38
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-5-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 107581086
1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115379768
4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22544339
N-(3,5-dimethoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80912719
N-(3-bromo-4-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80925138
5-ethyl-N-(4-ethylphenyl)-6-methylpyrimidin-4-amine
CID 13121249
4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80760820
N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80927392
4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80760702
N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 107604941
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80914838
5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760040

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine (CID 80927591) is 5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine is CCc1c(NN)ncnc1Nc1ccc(C)cc1.
What is the InChIKey of 5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is OKMKEMCLFYTOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-3-11-12(15-8-16-13(11)18-14)17-10-6-4-9(2)5-7-10/h4-8H,3,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine?
5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80927591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).