2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine

C9H12IN3 — CID 66305298

IUPAC2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine
SMILESCc1nc(C2CCC2)nc(N)c1I
InChIInChI=1S/C9H12IN3/c1-5-7(10)8(11)13-9(12-5)6-3-2-4-6/h6H,2-4H2,1H3,(H2,11,12,13)
InChIKeyYYRMTIGSAOWEJB-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.24
Rot. Bonds1

About 2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine

2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine (PubChem CID 66305298) has the molecular formula C9H12IN3 and a molecular weight of 289.12 g/mol. Its IUPAC name is 2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine
PubChem CID66305298
Molecular FormulaC9H12IN3
Molecular Weight289.12 g/mol
Exact Mass289.01
IUPAC Name2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine
SMILESCc1nc(C2CCC2)nc(N)c1I
InChIInChI=1S/C9H12IN3/c1-5-7(10)8(11)13-9(12-5)6-3-2-4-6/h6H,2-4H2,1H3,(H2,11,12,13)
InChIKeyYYRMTIGSAOWEJB-UHFFFAOYSA-N
XLogP2.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.24
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

2-cyclopropyl-5-iodo-6-methylpyrimidin-4-amine
CID 66307285
5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 66307689
4-amino-2-cyclobutyl-6-methylpyrimidine-5-carboxylic acid
CID 116647337
2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66304036
(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)methanamine
CID 62744554
2-cyclobutyl-6-ethyl-5-methylpyrimidin-4-amine
CID 64985726
4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid
CID 116647411
4-amino-2-cyclohexyl-6-methylpyrimidine-5-carboxamide
CID 116648065
6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66304402
5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 65401369
6-tert-butyl-5-iodo-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 66306827
2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine
CID 65415438

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine (CID 66305298) is 2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine is Cc1nc(C2CCC2)nc(N)c1I.
What is the InChIKey of 2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine?
The InChIKey is YYRMTIGSAOWEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3/c1-5-7(10)8(11)13-9(12-5)6-3-2-4-6/h6H,2-4H2,1H3,(H2,11,12,13).
What are the key properties of 2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine?
2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine has a molecular weight of 289.12 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66305298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).