5-iodo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one

C10H14IN3O — CID 136857187

IUPAC5-iodo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2nc[nH]c(=O)c2I)CCC1
InChIInChI=1S/C10H14IN3O/c1-10(3-2-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyCKOQHPLIVQQMEJ-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.98
Rot. Bonds3

About 5-iodo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one

5-iodo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136857187) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 5-iodo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136857187
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name5-iodo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2nc[nH]c(=O)c2I)CCC1
InChIInChI=1S/C10H14IN3O/c1-10(3-2-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyCKOQHPLIVQQMEJ-UHFFFAOYSA-N
XLogP1.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethylhexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136701822
4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704111
4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136716230
4-[(1-ethylcyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136723583
5-iodo-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762596
4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136768844
4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136780737
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136780756
5-iodo-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794535
5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824072
4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136848640
5-iodo-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one
CID 136852204

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one (CID 136857187) is 5-iodo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one is CC1(CNc2nc[nH]c(=O)c2I)CCC1.
What is the InChIKey of 5-iodo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is CKOQHPLIVQQMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-10(3-2-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-iodo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one?
5-iodo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 319.15 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136857187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).