4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one

C9H13IN4O — CID 136677208

IUPAC4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2I)CC1N
InChIInChI=1S/C9H13IN4O/c1-5-2-14(3-6(5)11)8-7(10)9(15)13-4-12-8/h4-6H,2-3,11H2,1H3,(H,12,13,15)
InChIKeyBYERVBQJRCFXFD-UHFFFAOYSA-N
MW320.13 g/mol
LogP0.16
Rot. Bonds1

About 4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one

4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136677208) has the molecular formula C9H13IN4O and a molecular weight of 320.13 g/mol. Its IUPAC name is 4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
PubChem CID136677208
Molecular FormulaC9H13IN4O
Molecular Weight320.13 g/mol
Exact Mass320.01
IUPAC Name4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2I)CC1N
InChIInChI=1S/C9H13IN4O/c1-5-2-14(3-6(5)11)8-7(10)9(15)13-4-12-8/h4-6H,2-3,11H2,1H3,(H,12,13,15)
InChIKeyBYERVBQJRCFXFD-UHFFFAOYSA-N
XLogP0.16
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136956170
5-Iodo-6-methyl-3-(pyrrolidin-3-ylmethyl)pyrimidin-4-one
CID 66340446
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136562357
5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136677204
4-(3-amino-4-methylpyrrolidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136677205
4-(3-amino-4-methylpyrrolidin-1-yl)-5-bromo-1H-pyrimidin-6-one
CID 136677206
4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136677210
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136689236
5-iodo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731506
5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734042
5-iodo-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734047
4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734049

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one (CID 136677208) is 4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one is CC1CN(c2nc[nH]c(=O)c2I)CC1N.
What is the InChIKey of 4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is BYERVBQJRCFXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4O/c1-5-2-14(3-6(5)11)8-7(10)9(15)13-4-12-8/h4-6H,2-3,11H2,1H3,(H,12,13,15).
What are the key properties of 4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 320.13 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136677208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).