2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine

C13H16IN5 — CID 81007542

IUPAC2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine
SMILESCCc1nc(NN)c(C)c(Nc2ccccc2I)n1
InChIInChI=1S/C13H16IN5/c1-3-11-17-12(8(2)13(18-11)19-15)16-10-7-5-4-6-9(10)14/h4-7H,3,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyHJPDDYYSUOITOS-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.98
Rot. Bonds4

About 2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine

2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine (PubChem CID 81007542) has the molecular formula C13H16IN5 and a molecular weight of 369.21 g/mol. Its IUPAC name is 2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine
PubChem CID81007542
Molecular FormulaC13H16IN5
Molecular Weight369.21 g/mol
Exact Mass369.05
IUPAC Name2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine
SMILESCCc1nc(NN)c(C)c(Nc2ccccc2I)n1
InChIInChI=1S/C13H16IN5/c1-3-11-17-12(8(2)13(18-11)19-15)16-10-7-5-4-6-9(10)14/h4-7H,3,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyHJPDDYYSUOITOS-UHFFFAOYSA-N
XLogP2.98
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6-hydrazinyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 81006724
4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80976900
6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80973608
N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006005
[2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000967
2-ethyl-6-hydrazinyl-5-methyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80994993
N-(2-chloro-5-methoxyphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81005929
4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976899
2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80977184
2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 81006900
6-chloro-2-ethyl-N-(3-fluoro-2-iodophenyl)-5-methylpyrimidin-4-amine
CID 114260994
[2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 81001116

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine (CID 81007542) is 2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine is CCc1nc(NN)c(C)c(Nc2ccccc2I)n1.
What is the InChIKey of 2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine?
The InChIKey is HJPDDYYSUOITOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN5/c1-3-11-17-12(8(2)13(18-11)19-15)16-10-7-5-4-6-9(10)14/h4-7H,3,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine?
2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine has a molecular weight of 369.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-hydrazinyl-N-(2-iodophenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 81007542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).