4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one

C14H19IN2O2 — CID 136997924

IUPAC4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
SMILESCOC(c1nc(C2CCCC2)c(I)c(=O)[nH]1)C1CC1
InChIInChI=1S/C14H19IN2O2/c1-19-12(9-6-7-9)13-16-11(8-4-2-3-5-8)10(15)14(18)17-13/h8-9,12H,2-7H2,1H3,(H,16,17,18)
InChIKeyBPPSKAMHNZTDRH-UHFFFAOYSA-N
MW374.22 g/mol
LogP3.13
Rot. Bonds4

About 4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one

4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136997924) has the molecular formula C14H19IN2O2 and a molecular weight of 374.22 g/mol. Its IUPAC name is 4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
PubChem CID136997924
Molecular FormulaC14H19IN2O2
Molecular Weight374.22 g/mol
Exact Mass374.05
IUPAC Name4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
SMILESCOC(c1nc(C2CCCC2)c(I)c(=O)[nH]1)C1CC1
InChIInChI=1S/C14H19IN2O2/c1-19-12(9-6-7-9)13-16-11(8-4-2-3-5-8)10(15)14(18)17-13/h8-9,12H,2-7H2,1H3,(H,16,17,18)
InChIKeyBPPSKAMHNZTDRH-UHFFFAOYSA-N
XLogP3.13
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 53.13
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-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997852
4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136729802
4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997676
2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one
CID 136997554
4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730224
2-(chloromethyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729885
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705672
4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965343
4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997573
2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116728169
4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965156
4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one
CID 136729870

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one (CID 136997924) is 4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one is COC(c1nc(C2CCCC2)c(I)c(=O)[nH]1)C1CC1.
What is the InChIKey of 4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is BPPSKAMHNZTDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2/c1-19-12(9-6-7-9)13-16-11(8-4-2-3-5-8)10(15)14(18)17-13/h8-9,12H,2-7H2,1H3,(H,16,17,18).
What are the key properties of 4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one?
4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 374.22 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136997924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).