5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine

C10H14IN3O — CID 116729345

IUPAC5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine
SMILESCOC1(c2nc(C)c(I)c(N)n2)CCC1
InChIInChI=1S/C10H14IN3O/c1-6-7(11)8(12)14-9(13-6)10(15-2)4-3-5-10/h3-5H2,1-2H3,(H2,12,13,14)
InChIKeyKHDQBILBEDPKET-UHFFFAOYSA-N
MW319.15 g/mol
LogP2.00
Rot. Bonds2

About 5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine

5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine (PubChem CID 116729345) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine
PubChem CID116729345
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine
SMILESCOC1(c2nc(C)c(I)c(N)n2)CCC1
InChIInChI=1S/C10H14IN3O/c1-6-7(11)8(12)14-9(13-6)10(15-2)4-3-5-10/h3-5H2,1-2H3,(H2,12,13,14)
InChIKeyKHDQBILBEDPKET-UHFFFAOYSA-N
XLogP2.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776459
5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
CID 104611748
6-ethyl-2-(1-methoxycyclohexyl)-5-methylpyrimidin-4-amine
CID 116776328
6-tert-butyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
CID 116776714
4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116746100
2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine
CID 116728373
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 104611900
2-(1-methoxycycloheptyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 116776251
2-(1-methoxycycloheptyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116775684
2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 113432871
2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine
CID 116776648
(1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431417

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine (CID 116729345) is 5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine is COC1(c2nc(C)c(I)c(N)n2)CCC1.
What is the InChIKey of 5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine?
The InChIKey is KHDQBILBEDPKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-6-7(11)8(12)14-9(13-6)10(15-2)4-3-5-10/h3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine?
5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine has a molecular weight of 319.15 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 116729345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).