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

C10H15IN4O2 — CID 136954310

IUPAC3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O2/c1-2-4-12-7(16)3-5-13-9-8(11)10(17)15-6-14-9/h6H,2-5H2,1H3,(H,12,16)(H2,13,14,15,17)
InChIKeyDWCHCYAYDWJUDP-UHFFFAOYSA-N
MW350.16 g/mol
LogP0.70
Rot. Bonds6

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

3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide (PubChem CID 136954310) 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-propylpropanamide.

Molecular Properties

Compound Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide
PubChem CID136954310
Molecular FormulaC10H15IN4O2
Molecular Weight350.16 g/mol
Exact Mass350.02
IUPAC Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O2/c1-2-4-12-7(16)3-5-13-9-8(11)10(17)15-6-14-9/h6H,2-5H2,1H3,(H,12,16)(H2,13,14,15,17)
InChIKeyDWCHCYAYDWJUDP-UHFFFAOYSA-N
XLogP0.70
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 50.70
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-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 66307816
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-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 114584142
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671889
N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136713574
4-[3-(dimethylamino)propyl-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136752197
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)amino]-N-propylpropanamide?
The IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide (CID 136954310) is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide?
The InChIKey is DWCHCYAYDWJUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O2/c1-2-4-12-7(16)3-5-13-9-8(11)10(17)15-6-14-9/h6H,2-5H2,1H3,(H,12,16)(H2,13,14,15,17).
What are the key properties of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide?
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-propylpropanamide has a molecular weight of 350.16 g/mol, XLogP of 0.70, 6 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-propylpropanamide is sourced from PubChem (CID 136954310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).