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

C12H16N6 — CID 80908545

IUPAC6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(N(C)c2cc(NN)nc(N)n2)c1
InChIInChI=1S/C12H16N6/c1-8-4-3-5-9(6-8)18(2)11-7-10(17-14)15-12(13)16-11/h3-7H,14H2,1-2H3,(H3,13,15,16,17)
InChIKeyVZONKSDOJXBFKC-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.42
Rot. Bonds3

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

6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 80908545) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID80908545
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(N(C)c2cc(NN)nc(N)n2)c1
InChIInChI=1S/C12H16N6/c1-8-4-3-5-9(6-8)18(2)11-7-10(17-14)15-12(13)16-11/h3-7H,14H2,1-2H3,(H3,13,15,16,17)
InChIKeyVZONKSDOJXBFKC-UHFFFAOYSA-N
XLogP1.42
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.42
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)methyl]pyrimidine-2,4-diamine
CID 80899123
6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine
CID 80767341
2-tert-butyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80967241
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80957882
N,2-diethyl-6-hydrazinyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80937279
2-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-diamine
CID 62002618
N-(3,5-dimethylphenyl)-2-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80936991
N-ethyl-6-hydrazinyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80899281
2-N-methyl-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 150772863
4-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4,6-triamine
CID 80817425
4-amino-6-(N,3-dimethylanilino)-1,3,5-triazine-2-carbonitrile
CID 66802810
N-(3-fluorophenyl)-6-hydrazinyl-N-methylpyridin-2-amine
CID 80908775

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 80908545) is 6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine is Cc1cccc(N(C)c2cc(NN)nc(N)n2)c1.
What is the InChIKey of 6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is VZONKSDOJXBFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-8-4-3-5-9(6-8)18(2)11-7-10(17-14)15-12(13)16-11/h3-7H,14H2,1-2H3,(H3,13,15,16,17).
What are the key properties of 6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.42, 3 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)pyrimidine-2,4-diamine is sourced from PubChem (CID 80908545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).