4-(cyclopentylamino)-5-iodo-1H-pyrimidin-6-one

C9H12IN3O — CID 136914102

IUPAC4-(cyclopentylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCC2)c1I
InChIInChI=1S/C9H12IN3O/c10-7-8(11-5-12-9(7)14)13-6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,12,13,14)
InChIKeyZCSREFNKLWPPQL-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.73
Rot. Bonds2

About 4-(cyclopentylamino)-5-iodo-1H-pyrimidin-6-one

4-(cyclopentylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136914102) has the molecular formula C9H12IN3O and a molecular weight of 305.12 g/mol. Its IUPAC name is 4-(cyclopentylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclopentylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136914102
Molecular FormulaC9H12IN3O
Molecular Weight305.12 g/mol
Exact Mass305.00
IUPAC Name4-(cyclopentylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCC2)c1I
InChIInChI=1S/C9H12IN3O/c10-7-8(11-5-12-9(7)14)13-6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,12,13,14)
InChIKeyZCSREFNKLWPPQL-UHFFFAOYSA-N
XLogP1.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.73
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-(cyclopentylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclopentylamino)-5-iodo-1H-pyrimidin-6-one (CID 136914102) is 4-(cyclopentylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclopentylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclopentylamino)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CCCC2)c1I.
What is the InChIKey of 4-(cyclopentylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is ZCSREFNKLWPPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O/c10-7-8(11-5-12-9(7)14)13-6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,12,13,14).
What are the key properties of 4-(cyclopentylamino)-5-iodo-1H-pyrimidin-6-one?
4-(cyclopentylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 305.12 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136914102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).