2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine

C13H20IN3O — CID 66304036

IUPAC2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCCCCC2)nc(N)c1I
InChIInChI=1S/C13H20IN3O/c1-18-8-10-11(14)12(15)17-13(16-10)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3,(H2,15,16,17)
InChIKeyWKUUVOOAULPZAV-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.25
Rot. Bonds3

About 2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine

2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 66304036) has the molecular formula C13H20IN3O and a molecular weight of 361.23 g/mol. Its IUPAC name is 2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID66304036
Molecular FormulaC13H20IN3O
Molecular Weight361.23 g/mol
Exact Mass361.07
IUPAC Name2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCCCCC2)nc(N)c1I
InChIInChI=1S/C13H20IN3O/c1-18-8-10-11(14)12(15)17-13(16-10)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3,(H2,15,16,17)
InChIKeyWKUUVOOAULPZAV-UHFFFAOYSA-N
XLogP3.25
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine
CID 66302403
5-iodo-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66304447
2-(1,1-dioxothiolan-3-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 113289859
2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66301791
5-iodo-6-(methoxymethyl)-2-(5-methyloxolan-2-yl)pyrimidin-4-amine
CID 82839731
2-(2,3-dihydro-1H-inden-1-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66303839
2-cyclohexyl-6-ethyl-5-methylpyrimidin-4-amine
CID 63559786
5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 80609914
2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine
CID 66305298
4-cycloheptyl-6-(methoxymethyl)-1,3,5-triazin-2-amine
CID 63868763
5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 66300160
5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine
CID 66298788

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine (CID 66304036) is 2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine is COCc1nc(C2CCCCCC2)nc(N)c1I.
What is the InChIKey of 2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is WKUUVOOAULPZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3O/c1-18-8-10-11(14)12(15)17-13(16-10)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3,(H2,15,16,17).
What are the key properties of 2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine?
2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 361.23 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 66304036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).