4-[cyclopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one

C10H14IN3O — CID 136970737

IUPAC4-[cyclopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1I)C1CCCC1
InChIInChI=1S/C10H14IN3O/c1-14(7-4-2-3-5-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyNGXYIOPEDSHDIR-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.75
Rot. Bonds2

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

4-[cyclopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136970737) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 4-[cyclopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136970737
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name4-[cyclopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1I)C1CCCC1
InChIInChI=1S/C10H14IN3O/c1-14(7-4-2-3-5-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyNGXYIOPEDSHDIR-UHFFFAOYSA-N
XLogP1.75
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136970737) is 4-[cyclopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is CN(c1nc[nH]c(=O)c1I)C1CCCC1.
What is the InChIKey of 4-[cyclopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is NGXYIOPEDSHDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-14(7-4-2-3-5-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 4-[cyclopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[cyclopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 319.15 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136970737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).