4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one

C20H18N4O2 — CID 136726342

IUPAC4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C2\CC(c3ccccc3)Oc3ccccc32)n1
InChIInChI=1S/C20H18N4O2/c1-13-11-19(25)22-20(21-13)24-23-16-12-18(14-7-3-2-4-8-14)26-17-10-6-5-9-15(16)17/h2-11,18H,12H2,1H3,(H2,21,22,24,25)/b23-16+
InChIKeyIAQLIIYQCBKYHT-XQNSMLJCSA-N
MW346.39 g/mol
LogP3.42
Rot. Bonds3

About 4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one

4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 136726342) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one
PubChem CID136726342
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C2\CC(c3ccccc3)Oc3ccccc32)n1
InChIInChI=1S/C20H18N4O2/c1-13-11-19(25)22-20(21-13)24-23-16-12-18(14-7-3-2-4-8-14)26-17-10-6-5-9-15(16)17/h2-11,18H,12H2,1H3,(H2,21,22,24,25)/b23-16+
InChIKeyIAQLIIYQCBKYHT-XQNSMLJCSA-N
XLogP3.42
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.42
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one (CID 136726342) is 4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C2\CC(c3ccccc3)Oc3ccccc32)n1.
What is the InChIKey of 4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is IAQLIIYQCBKYHT-XQNSMLJCSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-11-19(25)22-20(21-13)24-23-16-12-18(14-7-3-2-4-8-14)26-17-10-6-5-9-15(16)17/h2-11,18H,12H2,1H3,(H2,21,22,24,25)/b23-16+.
What are the key properties of 4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 346.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136726342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).