6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine

C16H24N6 — CID 22544389

IUPAC6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
SMILESCCc1ccc(Nc2ncnc(NNC(C)(C)C)c2N)cc1
InChIInChI=1S/C16H24N6/c1-5-11-6-8-12(9-7-11)20-14-13(17)15(19-10-18-14)21-22-16(2,3)4/h6-10,22H,5,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyIKXZDUIANNVMMR-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.08
Rot. Bonds5

About 6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine

6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine (PubChem CID 22544389) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
PubChem CID22544389
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
SMILESCCc1ccc(Nc2ncnc(NNC(C)(C)C)c2N)cc1
InChIInChI=1S/C16H24N6/c1-5-11-6-8-12(9-7-11)20-14-13(17)15(19-10-18-14)21-22-16(2,3)4/h6-10,22H,5,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyIKXZDUIANNVMMR-UHFFFAOYSA-N
XLogP3.08
TPSA87.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22544339
4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22544255
6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine
CID 19152757
4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544240
6-N-[(4-chlorophenyl)methyl]-4-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544359
4-N-(4-butoxyphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544296
4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544393
6-N-(4-ethylphenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22544237
4-N-(1,3-benzodioxol-5-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine
CID 22542184
6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543956
4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22544263
4-N-(4-ethylphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22544441

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine (CID 22544389) is 6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine is CCc1ccc(Nc2ncnc(NNC(C)(C)C)c2N)cc1.
What is the InChIKey of 6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine?
The InChIKey is IKXZDUIANNVMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-5-11-6-8-12(9-7-11)20-14-13(17)15(19-10-18-14)21-22-16(2,3)4/h6-10,22H,5,17H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine?
6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine has a molecular weight of 300.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22544389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).