2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C16H21N5O — CID 135470841

IUPAC2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)c1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C16H21N5O/c1-4-21(5-2)14-8-6-13(7-9-14)11-17-20-16-18-12(3)10-15(22)19-16/h6-11H,4-5H2,1-3H3,(H2,18,19,20,22)/b17-11+
InChIKeyYUYXJHYCSQCDNV-GZTJUZNOSA-N
MW299.38 g/mol
LogP2.37
Rot. Bonds6

About 2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135470841) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135470841
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)c1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C16H21N5O/c1-4-21(5-2)14-8-6-13(7-9-14)11-17-20-16-18-12(3)10-15(22)19-16/h6-11H,4-5H2,1-3H3,(H2,18,19,20,22)/b17-11+
InChIKeyYUYXJHYCSQCDNV-GZTJUZNOSA-N
XLogP2.37
TPSA73.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'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 2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135470841) is 2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is CCN(CC)c1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc1.
What is the InChIKey of 2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is YUYXJHYCSQCDNV-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H21N5O/c1-4-21(5-2)14-8-6-13(7-9-14)11-17-20-16-18-12(3)10-15(22)19-16/h6-11H,4-5H2,1-3H3,(H2,18,19,20,22)/b17-11+.
What are the key properties of 2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 299.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135470841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).