2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide

C15H19N5O — CID 54851090

IUPAC2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide
SMILESCc1nc(N)nc(-c2ccc(C(C)C)cc2)c1C(=O)NN
InChIInChI=1S/C15H19N5O/c1-8(2)10-4-6-11(7-5-10)13-12(14(21)20-17)9(3)18-15(16)19-13/h4-8H,17H2,1-3H3,(H,20,21)(H2,16,18,19)
InChIKeyHHTFIWJEUNIBKO-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.76
Rot. Bonds3

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

2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide (PubChem CID 54851090) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide
PubChem CID54851090
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide
SMILESCc1nc(N)nc(-c2ccc(C(C)C)cc2)c1C(=O)NN
InChIInChI=1S/C15H19N5O/c1-8(2)10-4-6-11(7-5-10)13-12(14(21)20-17)9(3)18-15(16)19-13/h4-8H,17H2,1-3H3,(H,20,21)(H2,16,18,19)
InChIKeyHHTFIWJEUNIBKO-UHFFFAOYSA-N
XLogP1.76
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.76
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-propan-2-ylphenyl)pyrimidine-5-carbohydrazide?
The IUPAC name of 2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide (CID 54851090) is 2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide?
The canonical SMILES for 2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide is Cc1nc(N)nc(-c2ccc(C(C)C)cc2)c1C(=O)NN.
What is the InChIKey of 2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide?
The InChIKey is HHTFIWJEUNIBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-8(2)10-4-6-11(7-5-10)13-12(14(21)20-17)9(3)18-15(16)19-13/h4-8H,17H2,1-3H3,(H,20,21)(H2,16,18,19).
What are the key properties of 2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide?
2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide has a molecular weight of 285.35 g/mol, XLogP of 1.76, 3 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-propan-2-ylphenyl)pyrimidine-5-carbohydrazide is sourced from PubChem (CID 54851090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).