3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide

C9H13IN4O2 — CID 136843229

IUPAC3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1nc[nH]c(=O)c1I)C(N)=O
InChIInChI=1S/C9H13IN4O2/c1-9(2,8(11)16)3-12-6-5(10)7(15)14-4-13-6/h4H,3H2,1-2H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyJDBDNYCKMFTUFI-UHFFFAOYSA-N
MW336.13 g/mol
LogP0.30
Rot. Bonds4

About 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide

3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide (PubChem CID 136843229) has the molecular formula C9H13IN4O2 and a molecular weight of 336.13 g/mol. Its IUPAC name is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
PubChem CID136843229
Molecular FormulaC9H13IN4O2
Molecular Weight336.13 g/mol
Exact Mass336.01
IUPAC Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1nc[nH]c(=O)c1I)C(N)=O
InChIInChI=1S/C9H13IN4O2/c1-9(2,8(11)16)3-12-6-5(10)7(15)14-4-13-6/h4H,3H2,1-2H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyJDBDNYCKMFTUFI-UHFFFAOYSA-N
XLogP0.30
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide 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-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671889
4-[3-(dimethylamino)propyl-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136752197
4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136768844
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
CID 136794218
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843225
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843228
2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136843230
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843231
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 136843233
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 136843237
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 136843238
N,2,2-trimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136843239

Frequently Asked Questions

What is the IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide (CID 136843229) is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide is CC(C)(CNc1nc[nH]c(=O)c1I)C(N)=O.
What is the InChIKey of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is JDBDNYCKMFTUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4O2/c1-9(2,8(11)16)3-12-6-5(10)7(15)14-4-13-6/h4H,3H2,1-2H3,(H2,11,16)(H2,12,13,14,15).
What are the key properties of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 336.13 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 136843229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).