2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide

C10H13ClIN3O2 — CID 114583780

IUPAC2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cnc(Cl)c(I)c1=O
InChIInChI=1S/C10H13ClIN3O2/c1-6(2)14(3)7(16)4-15-5-13-9(11)8(12)10(15)17/h5-6H,4H2,1-3H3
InChIKeySFPLLANOBBIXEW-UHFFFAOYSA-N
MW369.59 g/mol
LogP1.37
Rot. Bonds3

About 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide

2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 114583780) has the molecular formula C10H13ClIN3O2 and a molecular weight of 369.59 g/mol. Its IUPAC name is 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID114583780
Molecular FormulaC10H13ClIN3O2
Molecular Weight369.59 g/mol
Exact Mass368.97
IUPAC Name2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cnc(Cl)c(I)c1=O
InChIInChI=1S/C10H13ClIN3O2/c1-6(2)14(3)7(16)4-15-5-13-9(11)8(12)10(15)17/h5-6H,4H2,1-3H3
InChIKeySFPLLANOBBIXEW-UHFFFAOYSA-N
XLogP1.37
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.59
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide (CID 114583780) is 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1cnc(Cl)c(I)c1=O.
What is the InChIKey of 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is SFPLLANOBBIXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClIN3O2/c1-6(2)14(3)7(16)4-15-5-13-9(11)8(12)10(15)17/h5-6H,4H2,1-3H3.
What are the key properties of 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 369.59 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 114583780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).