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

C13H13Cl2N5O2 — CID 54851529

IUPAC2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
SMILESCc1nc(N)nc(COc2ccc(Cl)cc2Cl)c1C(=O)NN
InChIInChI=1S/C13H13Cl2N5O2/c1-6-11(12(21)20-17)9(19-13(16)18-6)5-22-10-3-2-7(14)4-8(10)15/h2-4H,5,17H2,1H3,(H,20,21)(H2,16,18,19)
InChIKeyORCOWKUXCJLPOS-UHFFFAOYSA-N
MW342.19 g/mol
LogP1.86
Rot. Bonds4

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

2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide (PubChem CID 54851529) has the molecular formula C13H13Cl2N5O2 and a molecular weight of 342.19 g/mol. Its IUPAC name is 2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
PubChem CID54851529
Molecular FormulaC13H13Cl2N5O2
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC Name2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
SMILESCc1nc(N)nc(COc2ccc(Cl)cc2Cl)c1C(=O)NN
InChIInChI=1S/C13H13Cl2N5O2/c1-6-11(12(21)20-17)9(19-13(16)18-6)5-22-10-3-2-7(14)4-8(10)15/h2-4H,5,17H2,1H3,(H,20,21)(H2,16,18,19)
InChIKeyORCOWKUXCJLPOS-UHFFFAOYSA-N
XLogP1.86
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 51.86
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-[(2,4-ditert-butylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54850590
2-amino-4-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851833
2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide
CID 54850496
2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851565
2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850715
2-amino-4-[(4-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylic acid
CID 54851309
5-chloro-6-[(2,4-dichlorophenoxy)methyl]pyridin-2-amine
CID 62887044
ethyl 2-amino-4-[(2,4-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851778
[2-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656343
2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850622
N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide
CID 134122788
ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate
CID 2628002

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide?
The IUPAC name of 2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide (CID 54851529) is 2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide?
The canonical SMILES for 2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide is Cc1nc(N)nc(COc2ccc(Cl)cc2Cl)c1C(=O)NN.
What is the InChIKey of 2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide?
The InChIKey is ORCOWKUXCJLPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5O2/c1-6-11(12(21)20-17)9(19-13(16)18-6)5-22-10-3-2-7(14)4-8(10)15/h2-4H,5,17H2,1H3,(H,20,21)(H2,16,18,19).
What are the key properties of 2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide?
2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide has a molecular weight of 342.19 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide is sourced from PubChem (CID 54851529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).