2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one

C13H16N4OS — CID 136788008

IUPAC2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1ccsc1/C=N\Nc1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H16N4OS/c1-8(2)10-6-12(18)16-13(15-10)17-14-7-11-9(3)4-5-19-11/h4-8H,1-3H3,(H2,15,16,17,18)/b14-7-
InChIKeyZUDCDSNGGCSCNL-AUWJEWJLSA-N
MW276.37 g/mol
LogP2.71
Rot. Bonds4

About 2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one

2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136788008) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136788008
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1ccsc1/C=N\Nc1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H16N4OS/c1-8(2)10-6-12(18)16-13(15-10)17-14-7-11-9(3)4-5-19-11/h4-8H,1-3H3,(H2,15,16,17,18)/b14-7-
InChIKeyZUDCDSNGGCSCNL-AUWJEWJLSA-N
XLogP2.71
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.71
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'}

Analyze 2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135457178
2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136787959
2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136788143
2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136788133
4-propan-2-yl-2-[(2Z)-2-[(4-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136788013
2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136788074
6-(4-methoxyphenyl)-3-[(2E)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136789183
2-[(2Z)-2-[(3-methoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136788020
2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779252
2-(3-chloro-4-methylanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779009
2-(4-fluoroanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136740970
N-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)nitramide
CID 136668766

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one (CID 136788008) is 2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one is Cc1ccsc1/C=N\Nc1nc(C(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZUDCDSNGGCSCNL-AUWJEWJLSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8(2)10-6-12(18)16-13(15-10)17-14-7-11-9(3)4-5-19-11/h4-8H,1-3H3,(H2,15,16,17,18)/b14-7-.
What are the key properties of 2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one?
2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 276.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136788008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).