1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

C14H20N6O — CID 115379769

IUPAC1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCOc1c(NN)ncnc1Nc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C14H20N6O/c1-9-5-6-10(7-11(9)20(2)3)18-13-12(21-4)14(19-15)17-8-16-13/h5-8H,15H2,1-4H3,(H2,16,17,18,19)
InChIKeyGVUDUVMHLHKOPJ-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.89
Rot. Bonds5

About 1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (PubChem CID 115379769) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
PubChem CID115379769
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCOc1c(NN)ncnc1Nc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C14H20N6O/c1-9-5-6-10(7-11(9)20(2)3)18-13-12(21-4)14(19-15)17-8-16-13/h5-8H,15H2,1-4H3,(H2,16,17,18,19)
InChIKeyGVUDUVMHLHKOPJ-UHFFFAOYSA-N
XLogP1.89
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-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

1-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115379768
4-N-[3-(dimethylamino)-4-methylphenyl]-6-methoxypyrimidine-4,5-diamine
CID 115376291
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine
CID 115379724
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 115379675
2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine
CID 115376279
N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
CID 107371208
3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine
CID 104507078
1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297487
3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbothioamide
CID 115377757
4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one
CID 136971479
N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 107623693
3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbonitrile
CID 115377531

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (CID 115379769) is 1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is COc1c(NN)ncnc1Nc1ccc(C)c(N(C)C)c1.
What is the InChIKey of 1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is GVUDUVMHLHKOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9-5-6-10(7-11(9)20(2)3)18-13-12(21-4)14(19-15)17-8-16-13/h5-8H,15H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 288.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 115379769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).