2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide

C13H15N5O — CID 54851744

IUPAC2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide
SMILESCc1ccc(-c2nc(N)nc(C)c2C(=O)NN)cc1
InChIInChI=1S/C13H15N5O/c1-7-3-5-9(6-4-7)11-10(12(19)18-15)8(2)16-13(14)17-11/h3-6H,15H2,1-2H3,(H,18,19)(H2,14,16,17)
InChIKeyYIEPBYHJFVCSSL-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.95
Rot. Bonds2

About 2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide

2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide (PubChem CID 54851744) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide
PubChem CID54851744
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide
SMILESCc1ccc(-c2nc(N)nc(C)c2C(=O)NN)cc1
InChIInChI=1S/C13H15N5O/c1-7-3-5-9(6-4-7)11-10(12(19)18-15)8(2)16-13(14)17-11/h3-6H,15H2,1-2H3,(H,18,19)(H2,14,16,17)
InChIKeyYIEPBYHJFVCSSL-UHFFFAOYSA-N
XLogP0.95
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide?
The IUPAC name of 2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide (CID 54851744) is 2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide?
The canonical SMILES for 2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide is Cc1ccc(-c2nc(N)nc(C)c2C(=O)NN)cc1.
What is the InChIKey of 2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide?
The InChIKey is YIEPBYHJFVCSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-7-3-5-9(6-4-7)11-10(12(19)18-15)8(2)16-13(14)17-11/h3-6H,15H2,1-2H3,(H,18,19)(H2,14,16,17).
What are the key properties of 2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide?
2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide has a molecular weight of 257.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide is sourced from PubChem (CID 54851744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).