4-chloro-2-(cyclopropylamino)-5-iodo-1H-pyrimidin-6-one

C7H7ClIN3O — CID 136743763

IUPAC4-chloro-2-(cyclopropylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(NC2CC2)nc(Cl)c1I
InChIInChI=1S/C7H7ClIN3O/c8-5-4(9)6(13)12-7(11-5)10-3-1-2-3/h3H,1-2H2,(H2,10,11,12,13)
InChIKeyAYCHOAOANVRXAO-UHFFFAOYSA-N
MW311.51 g/mol
LogP1.60
Rot. Bonds2

About 4-chloro-2-(cyclopropylamino)-5-iodo-1H-pyrimidin-6-one

4-chloro-2-(cyclopropylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136743763) has the molecular formula C7H7ClIN3O and a molecular weight of 311.51 g/mol. Its IUPAC name is 4-chloro-2-(cyclopropylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-chloro-2-(cyclopropylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136743763
Molecular FormulaC7H7ClIN3O
Molecular Weight311.51 g/mol
Exact Mass310.93
IUPAC Name4-chloro-2-(cyclopropylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(NC2CC2)nc(Cl)c1I
InChIInChI=1S/C7H7ClIN3O/c8-5-4(9)6(13)12-7(11-5)10-3-1-2-3/h3H,1-2H2,(H2,10,11,12,13)
InChIKeyAYCHOAOANVRXAO-UHFFFAOYSA-N
XLogP1.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-2-(cyclopropylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-chloro-2-(cyclopropylamino)-5-iodo-1H-pyrimidin-6-one (CID 136743763) is 4-chloro-2-(cyclopropylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-chloro-2-(cyclopropylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-chloro-2-(cyclopropylamino)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]c(NC2CC2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-(cyclopropylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is AYCHOAOANVRXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClIN3O/c8-5-4(9)6(13)12-7(11-5)10-3-1-2-3/h3H,1-2H2,(H2,10,11,12,13).
What are the key properties of 4-chloro-2-(cyclopropylamino)-5-iodo-1H-pyrimidin-6-one?
4-chloro-2-(cyclopropylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 311.51 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopropylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136743763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).