5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one

C10H16IN3O — CID 66340708

IUPAC5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CCNC(C)C
InChIInChI=1S/C10H16IN3O/c1-7(2)12-4-5-14-8(3)13-6-9(11)10(14)15/h6-7,12H,4-5H2,1-3H3
InChIKeySXWBUYBHWYWWRR-UHFFFAOYSA-N
MW321.16 g/mol
LogP1.15
Rot. Bonds4

About 5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one

5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one (PubChem CID 66340708) has the molecular formula C10H16IN3O and a molecular weight of 321.16 g/mol. Its IUPAC name is 5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one
PubChem CID66340708
Molecular FormulaC10H16IN3O
Molecular Weight321.16 g/mol
Exact Mass321.03
IUPAC Name5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CCNC(C)C
InChIInChI=1S/C10H16IN3O/c1-7(2)12-4-5-14-8(3)13-6-9(11)10(14)15/h6-7,12H,4-5H2,1-3H3
InChIKeySXWBUYBHWYWWRR-UHFFFAOYSA-N
XLogP1.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one (CID 66340708) is 5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one is Cc1ncc(I)c(=O)n1CCNC(C)C.
What is the InChIKey of 5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one?
The InChIKey is SXWBUYBHWYWWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O/c1-7(2)12-4-5-14-8(3)13-6-9(11)10(14)15/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one?
5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one has a molecular weight of 321.16 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 66340708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).