N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide

C10H15IN4O2 — CID 136713574

IUPACN-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O2/c1-4-15(3)10(17)6(2)14-8-7(11)9(16)13-5-12-8/h5-6H,4H2,1-3H3,(H2,12,13,14,16)
InChIKeyBPJWEORZCBIMFN-UHFFFAOYSA-N
MW350.16 g/mol
LogP0.65
Rot. Bonds4

About N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide

N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide (PubChem CID 136713574) has the molecular formula C10H15IN4O2 and a molecular weight of 350.16 g/mol. Its IUPAC name is N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
PubChem CID136713574
Molecular FormulaC10H15IN4O2
Molecular Weight350.16 g/mol
Exact Mass350.02
IUPAC NameN-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O2/c1-4-15(3)10(17)6(2)14-8-7(11)9(16)13-5-12-8/h5-6H,4H2,1-3H3,(H2,12,13,14,16)
InChIKeyBPJWEORZCBIMFN-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
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

Pepteridine A
CID 146684612
2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide
CID 66307801
N-butyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66307812
N-butan-2-yl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66308230
N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66309054
2-(5-iodo-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 66309492
N-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66310134
2-(5-iodo-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 66310559
2-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 66310768
N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66339990
2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 66340436
N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66340862

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide?
The IUPAC name of N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide (CID 136713574) is N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1nc[nH]c(=O)c1I.
What is the InChIKey of N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide?
The InChIKey is BPJWEORZCBIMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O2/c1-4-15(3)10(17)6(2)14-8-7(11)9(16)13-5-12-8/h5-6H,4H2,1-3H3,(H2,12,13,14,16).
What are the key properties of N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide?
N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide has a molecular weight of 350.16 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 136713574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).