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

C14H17N5O — CID 135460512

IUPAC2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C14H17N5O/c1-10-8-13(20)17-14(16-10)18-15-9-11-4-6-12(7-5-11)19(2)3/h4-9H,1-3H3,(H2,16,17,18,20)/b15-9+
InChIKeyPKVBNSPFUUAKKG-OQLLNIDSSA-N
MW271.32 g/mol
LogP1.59
Rot. Bonds4

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

2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135460512) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135460512
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C14H17N5O/c1-10-8-13(20)17-14(16-10)18-15-9-11-4-6-12(7-5-11)19(2)3/h4-9H,1-3H3,(H2,16,17,18,20)/b15-9+
InChIKeyPKVBNSPFUUAKKG-OQLLNIDSSA-N
XLogP1.59
TPSA73.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.59
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-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135460512) is 2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C/c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is PKVBNSPFUUAKKG-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10-8-13(20)17-14(16-10)18-15-9-11-4-6-12(7-5-11)19(2)3/h4-9H,1-3H3,(H2,16,17,18,20)/b15-9+.
What are the key properties of 2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 271.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135460512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).