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

C10H15IN4O2 — CID 136965547

IUPAC3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O2/c1-6(9(16)12-2)4-15(3)8-7(11)10(17)14-5-13-8/h5-6H,4H2,1-3H3,(H,12,16)(H,13,14,17)
InChIKeyUIGMCUPDSREXMZ-UHFFFAOYSA-N
MW350.16 g/mol
LogP0.19
Rot. Bonds4

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

3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 136965547) has the molecular formula C10H15IN4O2 and a molecular weight of 350.16 g/mol. Its IUPAC name is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
PubChem CID136965547
Molecular FormulaC10H15IN4O2
Molecular Weight350.16 g/mol
Exact Mass350.02
IUPAC Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O2/c1-6(9(16)12-2)4-15(3)8-7(11)10(17)14-5-13-8/h5-6H,4H2,1-3H3,(H,12,16)(H,13,14,17)
InChIKeyUIGMCUPDSREXMZ-UHFFFAOYSA-N
XLogP0.19
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (CID 136965547) is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1nc[nH]c(=O)c1I.
What is the InChIKey of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is UIGMCUPDSREXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O2/c1-6(9(16)12-2)4-15(3)8-7(11)10(17)14-5-13-8/h5-6H,4H2,1-3H3,(H,12,16)(H,13,14,17).
What are the key properties of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 350.16 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 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)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 136965547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).