4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one

C13H19IN4O — CID 136954302

IUPAC4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCN(C3CCCC3)CC2)c1I
InChIInChI=1S/C13H19IN4O/c14-11-12(15-9-16-13(11)19)18-7-5-17(6-8-18)10-3-1-2-4-10/h9-10H,1-8H2,(H,15,16,19)
InChIKeyPXFGIUVJBWXGOJ-UHFFFAOYSA-N
MW374.23 g/mol
LogP1.44
Rot. Bonds2

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

4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136954302) has the molecular formula C13H19IN4O and a molecular weight of 374.23 g/mol. Its IUPAC name is 4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one
PubChem CID136954302
Molecular FormulaC13H19IN4O
Molecular Weight374.23 g/mol
Exact Mass374.06
IUPAC Name4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCN(C3CCCC3)CC2)c1I
InChIInChI=1S/C13H19IN4O/c14-11-12(15-9-16-13(11)19)18-7-5-17(6-8-18)10-3-1-2-4-10/h9-10H,1-8H2,(H,15,16,19)
InChIKeyPXFGIUVJBWXGOJ-UHFFFAOYSA-N
XLogP1.44
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 136957743
4-[4-(bromomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136971982
4-(4-tert-butylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957733
5-bromo-4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957573
5-iodo-4-(1-oxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
CID 136994013
4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957758
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136971525
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 137010515
5-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009232
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008213
4-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 137012742
4-[3-(chloromethyl)pyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136971835

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one (CID 136954302) is 4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCN(C3CCCC3)CC2)c1I.
What is the InChIKey of 4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is PXFGIUVJBWXGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN4O/c14-11-12(15-9-16-13(11)19)18-7-5-17(6-8-18)10-3-1-2-4-10/h9-10H,1-8H2,(H,15,16,19).
What are the key properties of 4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one?
4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 374.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136954302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).