4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one

C11H16IN3O2 — CID 136956667

IUPAC4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCOC2CCCC2)c1I
InChIInChI=1S/C11H16IN3O2/c12-9-10(14-7-15-11(9)16)13-5-6-17-8-3-1-2-4-8/h7-8H,1-6H2,(H2,13,14,15,16)
InChIKeyNWQKVEOPYWFIPO-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.75
Rot. Bonds5

About 4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one

4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136956667) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136956667
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCOC2CCCC2)c1I
InChIInChI=1S/C11H16IN3O2/c12-9-10(14-7-15-11(9)16)13-5-6-17-8-3-1-2-4-8/h7-8H,1-6H2,(H2,13,14,15,16)
InChIKeyNWQKVEOPYWFIPO-UHFFFAOYSA-N
XLogP1.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820293
4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136896841
4-(2-butoxyethylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956276
5-iodo-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956335
5-iodo-4-[2-(3-methylbutoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956476
5-iodo-4-[(2-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136956533
4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one
CID 136956668
5-iodo-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
CID 136956767
5-iodo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136957044
4-(2-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one
CID 136957226
5-iodo-4-(2-propan-2-yloxyethylamino)-1H-pyrimidin-6-one
CID 136957250
5-iodo-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one
CID 136957284

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one (CID 136956667) is 4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCOC2CCCC2)c1I.
What is the InChIKey of 4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is NWQKVEOPYWFIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c12-9-10(14-7-15-11(9)16)13-5-6-17-8-3-1-2-4-8/h7-8H,1-6H2,(H2,13,14,15,16).
What are the key properties of 4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one?
4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 349.17 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentyloxyethylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136956667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).