4-(2,4-dimethylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one

C10H14IN3O — CID 136971635

IUPAC4-(2,4-dimethylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCC1CC(C)N(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C10H14IN3O/c1-6-3-7(2)14(4-6)9-8(11)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyQLLUAFZRHZYAFU-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.61
Rot. Bonds1

About 4-(2,4-dimethylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one

4-(2,4-dimethylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136971635) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 4-(2,4-dimethylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,4-dimethylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
PubChem CID136971635
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name4-(2,4-dimethylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCC1CC(C)N(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C10H14IN3O/c1-6-3-7(2)14(4-6)9-8(11)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyQLLUAFZRHZYAFU-UHFFFAOYSA-N
XLogP1.61
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 51.61
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

4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136677208
4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136716230
5-iodo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731506
4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136758184
4-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136758187
5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780971
5-iodo-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780978
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136780985
5-iodo-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780993
4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136781003
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136781012
5-iodo-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781022

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,4-dimethylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one (CID 136971635) is 4-(2,4-dimethylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,4-dimethylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,4-dimethylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one is CC1CC(C)N(c2nc[nH]c(=O)c2I)C1.
What is the InChIKey of 4-(2,4-dimethylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is QLLUAFZRHZYAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-6-3-7(2)14(4-6)9-8(11)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,12,13,15).
What are the key properties of 4-(2,4-dimethylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
4-(2,4-dimethylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 319.15 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136971635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).