6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine

C13H17N5 — CID 80898136

IUPAC6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1nc(NN)cc(NCc2ccccc2C)n1
InChIInChI=1S/C13H17N5/c1-9-5-3-4-6-11(9)8-15-12-7-13(18-14)17-10(2)16-12/h3-7H,8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyNZMWXUOILIHCLU-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.99
Rot. Bonds4

About 6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine

6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 80898136) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID80898136
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1nc(NN)cc(NCc2ccccc2C)n1
InChIInChI=1S/C13H17N5/c1-9-5-3-4-6-11(9)8-15-12-7-13(18-14)17-10(2)16-12/h3-7H,8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyNZMWXUOILIHCLU-UHFFFAOYSA-N
XLogP1.99
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-ethyl-2-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80790221
N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80898933
6-hydrazinyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 80899164
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871780
4-[[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112871775
2-methyl-6-N-[(2-methylphenyl)methyl]-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112871745
4-N-(3-fluorophenyl)-2-methyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871761
4-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967447
N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368361
methyl 3-[[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112871753
2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109368537
N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80904358

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine (CID 80898136) is 6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine is Cc1nc(NN)cc(NCc2ccccc2C)n1.
What is the InChIKey of 6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is NZMWXUOILIHCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9-5-3-4-6-11(9)8-15-12-7-13(18-14)17-10(2)16-12/h3-7H,8,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80898136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).