5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

C10H15IN4O — CID 136780971

IUPAC5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CCCN1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O/c1-15(5-7-3-2-4-12-7)9-8(11)10(16)14-6-13-9/h6-7,12H,2-5H2,1H3,(H,13,14,16)
InChIKeyMTUSSGDOAOKZSF-UHFFFAOYSA-N
MW334.16 g/mol
LogP0.56
Rot. Bonds3

About 5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136780971) has the molecular formula C10H15IN4O and a molecular weight of 334.16 g/mol. Its IUPAC name is 5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136780971
Molecular FormulaC10H15IN4O
Molecular Weight334.16 g/mol
Exact Mass334.03
IUPAC Name5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CCCN1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O/c1-15(5-7-3-2-4-12-7)9-8(11)10(16)14-6-13-9/h6-7,12H,2-5H2,1H3,(H,13,14,16)
InChIKeyMTUSSGDOAOKZSF-UHFFFAOYSA-N
XLogP0.56
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 50.56
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-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 66308650
5-Iodo-6-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 66340230
5-iodo-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819834
5-iodo-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819835
5-iodo-6-methyl-3-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819836
5-iodo-6-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-one
CID 102819837
5-amino-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135786488
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136562357
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672455
4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136677208
4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136726430
5-chloro-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731502

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136780971) is 5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is CN(CC1CCCN1)c1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is MTUSSGDOAOKZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O/c1-15(5-7-3-2-4-12-7)9-8(11)10(16)14-6-13-9/h6-7,12H,2-5H2,1H3,(H,13,14,16).
What are the key properties of 5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 334.16 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).