2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one

C20H20N4O5 — CID 136788267

IUPAC2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(N/N=C\c3cc(OC)c(O)c(OC)c3)n2)cc1
InChIInChI=1S/C20H20N4O5/c1-27-14-6-4-13(5-7-14)15-10-18(25)23-20(22-15)24-21-11-12-8-16(28-2)19(26)17(9-12)29-3/h4-11,26H,1-3H3,(H2,22,23,24,25)/b21-11-
InChIKeyUBDCPYSELBXUHW-NHDPSOOVSA-N
MW396.40 g/mol
LogP2.61
Rot. Bonds7

About 2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one

2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 136788267) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is 2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
PubChem CID136788267
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(N/N=C\c3cc(OC)c(O)c(OC)c3)n2)cc1
InChIInChI=1S/C20H20N4O5/c1-27-14-6-4-13(5-7-14)15-10-18(25)23-20(22-15)24-21-11-12-8-16(28-2)19(26)17(9-12)29-3/h4-11,26H,1-3H3,(H2,22,23,24,25)/b21-11-
InChIKeyUBDCPYSELBXUHW-NHDPSOOVSA-N
XLogP2.61
TPSA118.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-[(3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788262
2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788418
3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-6-(4-methoxyphenyl)-4H-1,2,4-triazin-5-one
CID 136789163
2-[(2Z)-2-[(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788312
2-[(2Z)-2-[(2-bromo-3,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788360
4-(4-methoxyphenyl)-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 136788409
2-[(2Z)-2-[(3,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136788195
2-[(2Z)-2-[(3-chloro-4-propoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788332
4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136788283
2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788333
2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135509497
2-[(2Z)-2-[(3-methoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920862

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one (CID 136788267) is 2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one is COc1ccc(-c2cc(=O)[nH]c(N/N=C\c3cc(OC)c(O)c(OC)c3)n2)cc1.
What is the InChIKey of 2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is UBDCPYSELBXUHW-NHDPSOOVSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-27-14-6-4-13(5-7-14)15-10-18(25)23-20(22-15)24-21-11-12-8-16(28-2)19(26)17(9-12)29-3/h4-11,26H,1-3H3,(H2,22,23,24,25)/b21-11-.
What are the key properties of 2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 396.40 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136788267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).