1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine

C13H18N6 — CID 113297977

IUPAC1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCc1c(NN)ncnc1Nc1cccc(N(C)C)c1
InChIInChI=1S/C13H18N6/c1-9-12(15-8-16-13(9)18-14)17-10-5-4-6-11(7-10)19(2)3/h4-8H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyMEYFMAIIVLUAIU-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.88
Rot. Bonds4

About 1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 113297977) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID113297977
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCc1c(NN)ncnc1Nc1cccc(N(C)C)c1
InChIInChI=1S/C13H18N6/c1-9-12(15-8-16-13(9)18-14)17-10-5-4-6-11(7-10)19(2)3/h4-8H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyMEYFMAIIVLUAIU-UHFFFAOYSA-N
XLogP1.88
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.88
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

2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine
CID 110435229
4-N-[3-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669910
N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80921046
4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine
CID 115376024
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107
4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80761354
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80928095
1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297856
4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 115379613
3-N-(5,6-dimethylpyrimidin-4-yl)benzene-1,3-diamine
CID 123347147
1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 79033222

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine (CID 113297977) is 1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine is Cc1c(NN)ncnc1Nc1cccc(N(C)C)c1.
What is the InChIKey of 1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is MEYFMAIIVLUAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-9-12(15-8-16-13(9)18-14)17-10-5-4-6-11(7-10)19(2)3/h4-8H,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 258.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 113297977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).