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

C8H11IN4O2 — CID 136956443

IUPAC3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H11IN4O2/c1-10-5(14)2-3-11-7-6(9)8(15)13-4-12-7/h4H,2-3H2,1H3,(H,10,14)(H2,11,12,13,15)
InChIKeyVGJBHKJHTIVAPW-UHFFFAOYSA-N
MW322.11 g/mol
LogP-0.08
Rot. Bonds4

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

3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide (PubChem CID 136956443) has the molecular formula C8H11IN4O2 and a molecular weight of 322.11 g/mol. Its IUPAC name is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
PubChem CID136956443
Molecular FormulaC8H11IN4O2
Molecular Weight322.11 g/mol
Exact Mass321.99
IUPAC Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H11IN4O2/c1-10-5(14)2-3-11-7-6(9)8(15)13-4-12-7/h4H,2-3H2,1H3,(H,10,14)(H2,11,12,13,15)
InChIKeyVGJBHKJHTIVAPW-UHFFFAOYSA-N
XLogP-0.08
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 5-0.08
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

N-ethyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide
CID 66308648
3-(5-iodo-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 66310131
3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114584036
3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114584088
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671889
4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853
4-[3-(dimethylamino)propyl-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136752197
4-[5-aminopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136829857
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-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]-N-methylpropanamide?
The IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide (CID 136956443) is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide is CNC(=O)CCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide?
The InChIKey is VGJBHKJHTIVAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN4O2/c1-10-5(14)2-3-11-7-6(9)8(15)13-4-12-7/h4H,2-3H2,1H3,(H,10,14)(H2,11,12,13,15).
What are the key properties of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide?
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide has a molecular weight of 322.11 g/mol, XLogP of -0.08, 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-methylpropanamide is sourced from PubChem (CID 136956443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).