2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine

C13H17N5O — CID 80931728

IUPAC2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccccc1CNc1cc(C)nc(NN)n1
InChIInChI=1S/C13H17N5O/c1-9-7-12(17-13(16-9)18-14)15-8-10-5-3-4-6-11(10)19-2/h3-7H,8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyVILXGJHXJBSIJO-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.69
Rot. Bonds5

About 2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine

2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine (PubChem CID 80931728) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
PubChem CID80931728
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccccc1CNc1cc(C)nc(NN)n1
InChIInChI=1S/C13H17N5O/c1-9-7-12(17-13(16-9)18-14)15-8-10-5-3-4-6-11(10)19-2/h3-7H,8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyVILXGJHXJBSIJO-UHFFFAOYSA-N
XLogP1.69
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.69
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-[(2-methoxyphenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916343
2-N-(3,4-dimethoxyphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918255
2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918230
2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918282
N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 103293691
2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112910525
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918295
4-N-(2,4-dimethylphenyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918341
methyl 3-[[4-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112918264
4-N-[(2-methoxyphenyl)methyl]-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913289
4-N-(5-chloro-2-methoxyphenyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918369
N-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 975932

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine (CID 80931728) is 2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine is COc1ccccc1CNc1cc(C)nc(NN)n1.
What is the InChIKey of 2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is VILXGJHXJBSIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-7-12(17-13(16-9)18-14)15-8-10-5-3-4-6-11(10)19-2/h3-7H,8,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine?
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80931728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).