4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one

C12H15IN2O — CID 136729802

IUPAC4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CC2)nc(C2CCCC2)c1I
InChIInChI=1S/C12H15IN2O/c13-9-10(7-3-1-2-4-7)14-11(8-5-6-8)15-12(9)16/h7-8H,1-6H2,(H,14,15,16)
InChIKeyCUIZMOQDPOLQBP-UHFFFAOYSA-N
MW330.17 g/mol
LogP2.91
Rot. Bonds2

About 4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one

4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one (PubChem CID 136729802) has the molecular formula C12H15IN2O and a molecular weight of 330.17 g/mol. Its IUPAC name is 4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one
PubChem CID136729802
Molecular FormulaC12H15IN2O
Molecular Weight330.17 g/mol
Exact Mass330.02
IUPAC Name4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CC2)nc(C2CCCC2)c1I
InChIInChI=1S/C12H15IN2O/c13-9-10(7-3-1-2-4-7)14-11(8-5-6-8)15-12(9)16/h7-8H,1-6H2,(H,14,15,16)
InChIKeyCUIZMOQDPOLQBP-UHFFFAOYSA-N
XLogP2.91
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729885
4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729854
4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
CID 136997924
4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one
CID 136729870
4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729850
4-cyclopropyl-5-iodo-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730225
4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005328
2-(4-bromothiophen-2-yl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729880
5-bromo-4-cyclopentyl-2-(thian-2-yl)-1H-pyrimidin-6-one
CID 136729636
4-cyclopentyl-2-(4,5-dibromothiophen-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 136683130
4-cyclopentyl-5-iodo-2-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one
CID 136729851
2-(4-tert-butylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286365

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one (CID 136729802) is 4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one is O=c1[nH]c(C2CC2)nc(C2CCCC2)c1I.
What is the InChIKey of 4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one?
The InChIKey is CUIZMOQDPOLQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O/c13-9-10(7-3-1-2-4-7)14-11(8-5-6-8)15-12(9)16/h7-8H,1-6H2,(H,14,15,16).
What are the key properties of 4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one?
4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one has a molecular weight of 330.17 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136729802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).