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

C9H13IN4O2 — CID 136914195

IUPAC3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C9H13IN4O2/c1-11-6(15)3-4-14(2)8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,16)
InChIKeyNIUUVZKJWGUYDR-UHFFFAOYSA-N
MW336.13 g/mol
LogP-0.05
Rot. Bonds4

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

3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide (PubChem CID 136914195) 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)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
PubChem CID136914195
Molecular FormulaC9H13IN4O2
Molecular Weight336.13 g/mol
Exact Mass336.01
IUPAC Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C9H13IN4O2/c1-11-6(15)3-4-14(2)8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,16)
InChIKeyNIUUVZKJWGUYDR-UHFFFAOYSA-N
XLogP-0.05
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
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-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 66340439
N-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
CID 66343120
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
2-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136713544
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

Frequently Asked Questions

What is the IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide (CID 136914195) is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1nc[nH]c(=O)c1I.
What is the InChIKey of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The InChIKey is NIUUVZKJWGUYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4O2/c1-11-6(15)3-4-14(2)8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,16).
What are the key properties of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide has a molecular weight of 336.13 g/mol, XLogP of -0.05, 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-methylpropanamide is sourced from PubChem (CID 136914195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).