2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one

C17H21ClN4O2 — CID 136788074

IUPAC2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)Oc1ccc(/C=N\Nc2nc(C(C)C)cc(=O)[nH]2)cc1Cl
InChIInChI=1S/C17H21ClN4O2/c1-10(2)14-8-16(23)21-17(20-14)22-19-9-12-5-6-15(13(18)7-12)24-11(3)4/h5-11H,1-4H3,(H2,20,21,22,23)/b19-9-
InChIKeyVVAJGVTUVMWWOZ-OCKHKDLRSA-N
MW348.83 g/mol
LogP3.78
Rot. Bonds6

About 2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one

2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136788074) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136788074
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)Oc1ccc(/C=N\Nc2nc(C(C)C)cc(=O)[nH]2)cc1Cl
InChIInChI=1S/C17H21ClN4O2/c1-10(2)14-8-16(23)21-17(20-14)22-19-9-12-5-6-15(13(18)7-12)24-11(3)4/h5-11H,1-4H3,(H2,20,21,22,23)/b19-9-
InChIKeyVVAJGVTUVMWWOZ-OCKHKDLRSA-N
XLogP3.78
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136788143
2-[(2Z)-2-[(3-methoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136788020
2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136788133
4-propan-2-yl-2-[(2Z)-2-[(4-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136788013
2-[(2Z)-2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787647
2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136787959
6-benzyl-2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136788467
N-[(Z)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 110538141
3-[(2E)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136733238
3-chloro-N-[(E)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-4-methylaniline
CID 110506541
2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136788008
2-[(2E)-2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136732970

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one (CID 136788074) is 2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)Oc1ccc(/C=N\Nc2nc(C(C)C)cc(=O)[nH]2)cc1Cl.
What is the InChIKey of 2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is VVAJGVTUVMWWOZ-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-10(2)14-8-16(23)21-17(20-14)22-19-9-12-5-6-15(13(18)7-12)24-11(3)4/h5-11H,1-4H3,(H2,20,21,22,23)/b19-9-.
What are the key properties of 2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one?
2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 348.83 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136788074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).