2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide

C14H16ClN5O2 — CID 54851756

IUPAC2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide
SMILESCc1nc(N)nc(C(C)Oc2ccc(Cl)cc2)c1C(=O)NN
InChIInChI=1S/C14H16ClN5O2/c1-7-11(13(21)20-17)12(19-14(16)18-7)8(2)22-10-5-3-9(15)4-6-10/h3-6,8H,17H2,1-2H3,(H,20,21)(H2,16,18,19)
InChIKeyJBLQOIYJZZOTCI-UHFFFAOYSA-N
MW321.77 g/mol
LogP1.76
Rot. Bonds4

About 2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide

2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide (PubChem CID 54851756) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is 2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide
PubChem CID54851756
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC Name2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide
SMILESCc1nc(N)nc(C(C)Oc2ccc(Cl)cc2)c1C(=O)NN
InChIInChI=1S/C14H16ClN5O2/c1-7-11(13(21)20-17)12(19-14(16)18-7)8(2)22-10-5-3-9(15)4-6-10/h3-6,8H,17H2,1-2H3,(H,20,21)(H2,16,18,19)
InChIKeyJBLQOIYJZZOTCI-UHFFFAOYSA-N
XLogP1.76
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 51.76
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-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide
CID 54850762
2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide
CID 54850729
2-amino-4-[1-(2,6-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853773
2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide
CID 54850894
2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851412
2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide
CID 54851090
2-amino-N,N-diethyl-4-methyl-6-[1-(4-nitrophenoxy)ethyl]pyrimidine-5-carboxamide
CID 54853639
2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853663
5-methyl-3-[1-(4-phenylphenoxy)ethyl]-1H-pyrazole-4-carbohydrazide
CID 54851249
2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851549
2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide
CID 54851744
2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851529

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide?
The IUPAC name of 2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide (CID 54851756) is 2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide?
The canonical SMILES for 2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide is Cc1nc(N)nc(C(C)Oc2ccc(Cl)cc2)c1C(=O)NN.
What is the InChIKey of 2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide?
The InChIKey is JBLQOIYJZZOTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2/c1-7-11(13(21)20-17)12(19-14(16)18-7)8(2)22-10-5-3-9(15)4-6-10/h3-6,8H,17H2,1-2H3,(H,20,21)(H2,16,18,19).
What are the key properties of 2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide?
2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide has a molecular weight of 321.77 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide is sourced from PubChem (CID 54851756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).