5-(2-hydroxyethyl)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C14H16N4O3 — CID 136788533

IUPAC5-(2-hydroxyethyl)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N/N=C\c2ccccc2O)[nH]c(=O)c1CCO
InChIInChI=1S/C14H16N4O3/c1-9-11(6-7-19)13(21)17-14(16-9)18-15-8-10-4-2-3-5-12(10)20/h2-5,8,19-20H,6-7H2,1H3,(H2,16,17,18,21)/b15-8-
InChIKeyPUANMODDRMNLHZ-NVNXTCNLSA-N
MW288.31 g/mol
LogP0.76
Rot. Bonds5

About 5-(2-hydroxyethyl)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

5-(2-hydroxyethyl)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136788533) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136788533
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name5-(2-hydroxyethyl)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N/N=C\c2ccccc2O)[nH]c(=O)c1CCO
InChIInChI=1S/C14H16N4O3/c1-9-11(6-7-19)13(21)17-14(16-9)18-15-8-10-4-2-3-5-12(10)20/h2-5,8,19-20H,6-7H2,1H3,(H2,16,17,18,21)/b15-8-
InChIKeyPUANMODDRMNLHZ-NVNXTCNLSA-N
XLogP0.76
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

5-(2-hydroxyethyl)-4-methyl-2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136788693
2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136788698
2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136788717
5-(2-hydroxyethyl)-4-methyl-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136788572
2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136788692
2-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136788559
5-butyl-2-[2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135447891
2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
CID 135454395
2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612093
2-[(2Z)-2-[(3-ethoxy-4-methoxyphenyl)methylidene]hydrazinyl]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136788555
2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612041
2-[(2Z)-2-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136788558

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 136788533) is 5-(2-hydroxyethyl)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1nc(N/N=C\c2ccccc2O)[nH]c(=O)c1CCO.
What is the InChIKey of 5-(2-hydroxyethyl)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is PUANMODDRMNLHZ-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-11(6-7-19)13(21)17-14(16-9)18-15-8-10-4-2-3-5-12(10)20/h2-5,8,19-20H,6-7H2,1H3,(H2,16,17,18,21)/b15-8-.
What are the key properties of 5-(2-hydroxyethyl)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
5-(2-hydroxyethyl)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 288.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136788533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).