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

C10H15IN4O2 — CID 136843238

IUPAC3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O2/c1-10(2,9(17)12-3)4-13-7-6(11)8(16)15-5-14-7/h5H,4H2,1-3H3,(H,12,17)(H2,13,14,15,16)
InChIKeyUGTPLZWIFAVDQV-UHFFFAOYSA-N
MW350.16 g/mol
LogP0.56
Rot. Bonds4

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

3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 136843238) 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)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID136843238
Molecular FormulaC10H15IN4O2
Molecular Weight350.16 g/mol
Exact Mass350.02
IUPAC Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O2/c1-10(2,9(17)12-3)4-13-7-6(11)8(16)15-5-14-7/h5H,4H2,1-3H3,(H,12,17)(H2,13,14,15,16)
InChIKeyUGTPLZWIFAVDQV-UHFFFAOYSA-N
XLogP0.56
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843229
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
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]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (CID 136843238) is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is UGTPLZWIFAVDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O2/c1-10(2,9(17)12-3)4-13-7-6(11)8(16)15-5-14-7/h5H,4H2,1-3H3,(H,12,17)(H2,13,14,15,16).
What are the key properties of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 350.16 g/mol, XLogP of 0.56, 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]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 136843238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).