N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine

C13H17N5O — CID 80927038

IUPACN-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCOc1ccc(Nc2nc(NN)ncc2C)cc1
InChIInChI=1S/C13H17N5O/c1-3-19-11-6-4-10(5-7-11)16-12-9(2)8-15-13(17-12)18-14/h4-8H,3,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyUWTWVFBUMQXQHG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.21
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine

N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 80927038) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID80927038
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCOc1ccc(Nc2nc(NN)ncc2C)cc1
InChIInChI=1S/C13H17N5O/c1-3-19-11-6-4-10(5-7-11)16-12-9(2)8-15-13(17-12)18-14/h4-8H,3,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyUWTWVFBUMQXQHG-UHFFFAOYSA-N
XLogP2.21
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80905291
N-(4-bromophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927485
N-(4-ethyl-3-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114250739
2-[4-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]phenyl]acetonitrile
CID 80908431
5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80908587
N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114841210
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107581065
4-N-(4-ethoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80769010
2-methyl-5-[[5-methyl-2-(4-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 25070977
N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 104728727
2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020765

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine (CID 80927038) is N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine is CCOc1ccc(Nc2nc(NN)ncc2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is UWTWVFBUMQXQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-19-11-6-4-10(5-7-11)16-12-9(2)8-15-13(17-12)18-14/h4-8H,3,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine?
N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80927038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).