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

C11H16IN3O — CID 136716230

IUPAC4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(CC1CCC1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C11H16IN3O/c1-2-15(6-8-4-3-5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyBJKKHODEZOUBCE-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.00
Rot. Bonds4

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

4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136716230) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136716230
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(CC1CCC1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C11H16IN3O/c1-2-15(6-8-4-3-5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyBJKKHODEZOUBCE-UHFFFAOYSA-N
XLogP2.00
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.00
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

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
5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716231
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
N-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792775
4-[ethyl(piperidin-3-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136805349
5-iodo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805369
4-[5-aminopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136829857

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136716230) is 4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one is CCN(CC1CCC1)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is BJKKHODEZOUBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c1-2-15(6-8-4-3-5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 333.17 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136716230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).