4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine

C13H17N5O — CID 94672765

IUPAC4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCCc1cc(NN)nc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C13H17N5O/c1-3-9-8-12(18-14)17-13(15-9)16-10-4-6-11(19-2)7-5-10/h4-8H,3,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyHAVNVBUYJVEOOZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.08
Rot. Bonds5

About 4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine

4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 94672765) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID94672765
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCCc1cc(NN)nc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C13H17N5O/c1-3-9-8-12(18-14)17-13(15-9)16-10-4-6-11(19-2)7-5-10/h4-8H,3,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyHAVNVBUYJVEOOZ-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
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

4-[(4-ethyl-6-hydrazinylpyrimidin-2-yl)amino]benzonitrile
CID 94672705
6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 44526612
6-hydrazinyl-N-(4-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80947745
N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine
CID 139976084
4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 133054578
6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 88571005
2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 15629175
[6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine
CID 116777566
2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80933993
4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937801

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine (CID 94672765) is 4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine is CCc1cc(NN)nc(Nc2ccc(OC)cc2)n1.
What is the InChIKey of 4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is HAVNVBUYJVEOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-9-8-12(18-14)17-13(15-9)16-10-4-6-11(19-2)7-5-10/h4-8H,3,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine?
4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 94672765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).