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

C10H14IN3O — CID 136957754

IUPAC4-[cyclobutylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(CC1CCC1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN3O/c1-14(5-7-3-2-4-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyDOHSDJWSTSSPAN-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.61
Rot. Bonds3

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

4-[cyclobutylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136957754) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclobutylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136957754
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name4-[cyclobutylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(CC1CCC1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN3O/c1-14(5-7-3-2-4-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyDOHSDJWSTSSPAN-UHFFFAOYSA-N
XLogP1.61
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853
5-iodo-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701815
4-(2-ethylhexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136701822
4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704111
5-bromo-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716229
4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136716230
5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716231
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
4-[5-aminopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136829857

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclobutylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136957754) is 4-[cyclobutylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclobutylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclobutylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is CN(CC1CCC1)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[cyclobutylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is DOHSDJWSTSSPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-14(5-7-3-2-4-7)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-[cyclobutylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[cyclobutylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 319.15 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136957754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).