5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one

C12H14IN3OS — CID 136971411

IUPAC5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(Cc1cccs1)N(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C12H14IN3OS/c1-8(6-9-4-3-5-18-9)16(2)11-10(13)12(17)15-7-14-11/h3-5,7-8H,6H2,1-2H3,(H,14,15,17)
InChIKeyUGHMZGILZRHQMK-UHFFFAOYSA-N
MW375.24 g/mol
LogP2.50
Rot. Bonds4

About 5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one

5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136971411) has the molecular formula C12H14IN3OS and a molecular weight of 375.24 g/mol. Its IUPAC name is 5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136971411
Molecular FormulaC12H14IN3OS
Molecular Weight375.24 g/mol
Exact Mass374.99
IUPAC Name5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(Cc1cccs1)N(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C12H14IN3OS/c1-8(6-9-4-3-5-18-9)16(2)11-10(13)12(17)15-7-14-11/h3-5,7-8H,6H2,1-2H3,(H,14,15,17)
InChIKeyUGHMZGILZRHQMK-UHFFFAOYSA-N
XLogP2.50
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-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

3-N-methyl-3-N-(1-thiophen-2-ylpropan-2-yl)pyrazine-2,3-diamine
CID 113268505
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 79487177
5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid
CID 80631787
4-(aminomethyl)-3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 107055661
3-chloro-N,5,6-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
CID 79488274
2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 79488363
2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 79485930
6-chloro-N-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 79488086
[3-fluoro-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4-pyridinyl]methanol
CID 105383120
2-N,4-N,5-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80849338
5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde
CID 79475732
5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136993976

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one (CID 136971411) is 5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one is CC(Cc1cccs1)N(C)c1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is UGHMZGILZRHQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3OS/c1-8(6-9-4-3-5-18-9)16(2)11-10(13)12(17)15-7-14-11/h3-5,7-8H,6H2,1-2H3,(H,14,15,17).
What are the key properties of 5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 375.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136971411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).