N'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide

C21H23N5O3 — CID 19138799

IUPACN'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2ncnc(Oc3ccc(C(C)C)cc3)c2N)cc1
InChIInChI=1S/C21H23N5O3/c1-13(2)14-4-10-17(11-5-14)29-21-18(22)19(23-12-24-21)25-26-20(27)15-6-8-16(28-3)9-7-15/h4-13H,22H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyXEFXOXAKDUAOED-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.74
Rot. Bonds7

About N'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide

N'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide (PubChem CID 19138799) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
PubChem CID19138799
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2ncnc(Oc3ccc(C(C)C)cc3)c2N)cc1
InChIInChI=1S/C21H23N5O3/c1-13(2)14-4-10-17(11-5-14)29-21-18(22)19(23-12-24-21)25-26-20(27)15-6-8-16(28-3)9-7-15/h4-13H,22H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyXEFXOXAKDUAOED-UHFFFAOYSA-N
XLogP3.74
TPSA111.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151807
N'-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151802
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744
N'-(5-amino-6-hydrazinylpyrimidin-4-yl)-4-methoxybenzohydrazide
CID 19150367
N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide
CID 22543710
N'-[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19152290
4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
CID 19138730
N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide
CID 19150655
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151751
N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22543504
4-[[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid
CID 19151801
N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151839

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide?
The IUPAC name of N'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide (CID 19138799) is N'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide is COc1ccc(C(=O)NNc2ncnc(Oc3ccc(C(C)C)cc3)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide?
The InChIKey is XEFXOXAKDUAOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13(2)14-4-10-17(11-5-14)29-21-18(22)19(23-12-24-21)25-26-20(27)15-6-8-16(28-3)9-7-15/h4-13H,22H2,1-3H3,(H,26,27)(H,23,24,25).
What are the key properties of N'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide?
N'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide has a molecular weight of 393.45 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide is sourced from PubChem (CID 19138799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).