4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine

C12H16N6 — CID 19143332

IUPAC4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine
SMILESCc1ccc(Nc2ncnc(NN)c2N)c(C)c1
InChIInChI=1S/C12H16N6/c1-7-3-4-9(8(2)5-7)17-11-10(13)12(18-14)16-6-15-11/h3-6H,13-14H2,1-2H3,(H2,15,16,17,18)
InChIKeyRVHATBXHQOOBMB-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.70
Rot. Bonds3

About 4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine

4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine (PubChem CID 19143332) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine
PubChem CID19143332
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine
SMILESCc1ccc(Nc2ncnc(NN)c2N)c(C)c1
InChIInChI=1S/C12H16N6/c1-7-3-4-9(8(2)5-7)17-11-10(13)12(18-14)16-6-15-11/h3-6H,13-14H2,1-2H3,(H2,15,16,17,18)
InChIKeyRVHATBXHQOOBMB-UHFFFAOYSA-N
XLogP1.70
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.70
H-Bond Donors ≤ 54
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

6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19143286
6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19143282
6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
CID 19136733
6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
CID 22540722
6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19140933
4-N-(2,4-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 19143420
6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19141579
6-N-(4-butoxyphenyl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19142974
N-(2,4-dimethylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80928326
1-[3-[[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547417
4-N-(2,4-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140271

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine (CID 19143332) is 4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine is Cc1ccc(Nc2ncnc(NN)c2N)c(C)c1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine?
The InChIKey is RVHATBXHQOOBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-7-3-4-9(8(2)5-7)17-11-10(13)12(18-14)16-6-15-11/h3-6H,13-14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine?
4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine is sourced from PubChem (CID 19143332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).