6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine

C13H18N6 — CID 80899123

IUPAC6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cccc(CN(C)c2cc(NN)nc(N)n2)c1
InChIInChI=1S/C13H18N6/c1-9-4-3-5-10(6-9)8-19(2)12-7-11(18-15)16-13(14)17-12/h3-7H,8,15H2,1-2H3,(H3,14,16,17,18)
InChIKeyMIVQYKQIWXCLFV-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.29
Rot. Bonds4

About 6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine

6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80899123) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID80899123
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cccc(CN(C)c2cc(NN)nc(N)n2)c1
InChIInChI=1S/C13H18N6/c1-9-4-3-5-10(6-9)8-19(2)12-7-11(18-15)16-13(14)17-12/h3-7H,8,15H2,1-2H3,(H3,14,16,17,18)
InChIKeyMIVQYKQIWXCLFV-UHFFFAOYSA-N
XLogP1.29
TPSA93.09 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 ≤ 51.29
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

6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80908545
3-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 80918950
4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80898733
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80754280
6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80907338
6-methoxy-2-N-methyl-2-N-[(3-methylphenyl)methyl]pyridine-2,5-diamine
CID 61413982
4-N-(2,2-dimethylpropyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80903569
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 116796777
3,5-difluoro-6-hydrazinyl-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 114072993
1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80908741
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyridine-2,3-diamine
CID 61414258
4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine
CID 82236914

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 80899123) is 6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine is Cc1cccc(CN(C)c2cc(NN)nc(N)n2)c1.
What is the InChIKey of 6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is MIVQYKQIWXCLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-9-4-3-5-10(6-9)8-19(2)12-7-11(18-15)16-13(14)17-12/h3-7H,8,15H2,1-2H3,(H3,14,16,17,18).
What are the key properties of 6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 258.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80899123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).