4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide

C10H14IN3O2 — CID 66341376

IUPAC4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1c(C)ncc(I)c1=O
InChIInChI=1S/C10H14IN3O2/c1-7-13-6-8(11)10(16)14(7)5-3-4-9(15)12-2/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyDSKBMOCFKXRQAX-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.68
Rot. Bonds4

About 4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide

4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide (PubChem CID 66341376) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
PubChem CID66341376
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1c(C)ncc(I)c1=O
InChIInChI=1S/C10H14IN3O2/c1-7-13-6-8(11)10(16)14(7)5-3-4-9(15)12-2/h6H,3-5H2,1-2H3,(H,12,15)
InChIKeyDSKBMOCFKXRQAX-UHFFFAOYSA-N
XLogP0.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.68
H-Bond Donors ≤ 51
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 4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide (CID 66341376) is 4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide is CNC(=O)CCCn1c(C)ncc(I)c1=O.
What is the InChIKey of 4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The InChIKey is DSKBMOCFKXRQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-7-13-6-8(11)10(16)14(7)5-3-4-9(15)12-2/h6H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide?
4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide has a molecular weight of 335.15 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide is sourced from PubChem (CID 66341376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).