4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one

C14H14IN3O — CID 136729854

IUPAC4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc(C2CCCC2)c1I
InChIInChI=1S/C14H14IN3O/c15-11-12(9-3-1-2-4-9)17-13(18-14(11)19)10-5-7-16-8-6-10/h5-9H,1-4H2,(H,17,18,19)
InChIKeyFIDANRFXPXPEFG-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.09
Rot. Bonds2

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

4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 136729854) has the molecular formula C14H14IN3O and a molecular weight of 367.19 g/mol. Its IUPAC name is 4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID136729854
Molecular FormulaC14H14IN3O
Molecular Weight367.19 g/mol
Exact Mass367.02
IUPAC Name4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc(C2CCCC2)c1I
InChIInChI=1S/C14H14IN3O/c15-11-12(9-3-1-2-4-9)17-13(18-14(11)19)10-5-7-16-8-6-10/h5-9H,1-4H2,(H,17,18,19)
InChIKeyFIDANRFXPXPEFG-UHFFFAOYSA-N
XLogP3.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729697
4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005328
2-(3-bromo-4-fluorophenyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729890
2-(3-bromo-4-chlorophenyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729773
4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729850
2-(4-bromothiophen-2-yl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729880
5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137289020
4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile
CID 137291673
4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136729802
4-cyclopentyl-2-(4,5-dibromothiophen-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 136683130
4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005324
2-(3-chloro-5-fluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 137003528

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 136729854) is 4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccncc2)nc(C2CCCC2)c1I.
What is the InChIKey of 4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is FIDANRFXPXPEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN3O/c15-11-12(9-3-1-2-4-9)17-13(18-14(11)19)10-5-7-16-8-6-10/h5-9H,1-4H2,(H,17,18,19).
What are the key properties of 4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one?
4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 367.19 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136729854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).