N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide

C18H16ClN5O2 — CID 19150655

IUPACN'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide
SMILESCc1cc(Oc2ncnc(NNC(=O)c3ccccc3)c2N)ccc1Cl
InChIInChI=1S/C18H16ClN5O2/c1-11-9-13(7-8-14(11)19)26-18-15(20)16(21-10-22-18)23-24-17(25)12-5-3-2-4-6-12/h2-10H,20H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyHIXASWYVAQYMER-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.57
Rot. Bonds5

About N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide

N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide (PubChem CID 19150655) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide
PubChem CID19150655
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC NameN'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide
SMILESCc1cc(Oc2ncnc(NNC(=O)c3ccccc3)c2N)ccc1Cl
InChIInChI=1S/C18H16ClN5O2/c1-11-9-13(7-8-14(11)19)26-18-15(20)16(21-10-22-18)23-24-17(25)12-5-3-2-4-6-12/h2-10H,20H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyHIXASWYVAQYMER-UHFFFAOYSA-N
XLogP3.57
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide
CID 22543710
N'-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151802
N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151839
N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide
CID 19150656
4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine
CID 19150391
N'-[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151807
N'-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151504
N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152184
N'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19138799
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19150628
6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine
CID 19135502
6-(4-chloro-3-methylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148294

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide?
The IUPAC name of N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide (CID 19150655) is N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide is Cc1cc(Oc2ncnc(NNC(=O)c3ccccc3)c2N)ccc1Cl.
What is the InChIKey of N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide?
The InChIKey is HIXASWYVAQYMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-11-9-13(7-8-14(11)19)26-18-15(20)16(21-10-22-18)23-24-17(25)12-5-3-2-4-6-12/h2-10H,20H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide?
N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide has a molecular weight of 369.81 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 19150655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).