2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide

C15H19N5O2 — CID 54851565

IUPAC2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
SMILESCc1cccc(C)c1OCc1nc(N)nc(C)c1C(=O)NN
InChIInChI=1S/C15H19N5O2/c1-8-5-4-6-9(2)13(8)22-7-11-12(14(21)20-17)10(3)18-15(16)19-11/h4-6H,7,17H2,1-3H3,(H,20,21)(H2,16,18,19)
InChIKeyDWQDUNFXAAMDLQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.17
Rot. Bonds4

About 2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide

2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide (PubChem CID 54851565) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
PubChem CID54851565
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
SMILESCc1cccc(C)c1OCc1nc(N)nc(C)c1C(=O)NN
InChIInChI=1S/C15H19N5O2/c1-8-5-4-6-9(2)13(8)22-7-11-12(14(21)20-17)10(3)18-15(16)19-11/h4-6H,7,17H2,1-3H3,(H,20,21)(H2,16,18,19)
InChIKeyDWQDUNFXAAMDLQ-UHFFFAOYSA-N
XLogP1.17
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

2-amino-4-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851833
2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851529
2-amino-4-[(2,4-ditert-butylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54850590
2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54853624
2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54854022
2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide
CID 54853723
4-[(2,6-dimethylphenoxy)methyl]benzohydrazide
CID 7174125
4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213006
2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853917
2-amino-4-[(4-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylic acid
CID 54851309
2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid
CID 54851615
2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54851072

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide?
The IUPAC name of 2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide (CID 54851565) is 2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide?
The canonical SMILES for 2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide is Cc1cccc(C)c1OCc1nc(N)nc(C)c1C(=O)NN.
What is the InChIKey of 2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide?
The InChIKey is DWQDUNFXAAMDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-8-5-4-6-9(2)13(8)22-7-11-12(14(21)20-17)10(3)18-15(16)19-11/h4-6H,7,17H2,1-3H3,(H,20,21)(H2,16,18,19).
What are the key properties of 2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide?
2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide has a molecular weight of 301.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide is sourced from PubChem (CID 54851565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).