6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine

C16H26IN3 — CID 66298619

IUPAC6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(C2CCCCCC2)nc(C(C)(C)C)c1I
InChIInChI=1S/C16H26IN3/c1-16(2,3)13-12(17)15(18-4)20-14(19-13)11-9-7-5-6-8-10-11/h11H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyOFOVZUINYXHDSP-UHFFFAOYSA-N
MW387.31 g/mol
LogP4.86
Rot. Bonds2

About 6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine

6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 66298619) has the molecular formula C16H26IN3 and a molecular weight of 387.31 g/mol. Its IUPAC name is 6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine
PubChem CID66298619
Molecular FormulaC16H26IN3
Molecular Weight387.31 g/mol
Exact Mass387.12
IUPAC Name6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(C2CCCCCC2)nc(C(C)(C)C)c1I
InChIInChI=1S/C16H26IN3/c1-16(2,3)13-12(17)15(18-4)20-14(19-13)11-9-7-5-6-8-10-11/h11H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyOFOVZUINYXHDSP-UHFFFAOYSA-N
XLogP4.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-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

2-cyclooctyl-5-iodo-N-methylpyrimidin-4-amine
CID 80611090
6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine
CID 66300395
5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66300892
6-cyclopropyl-5-iodo-N-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 66303801
5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 80609914
6-tert-butyl-5-iodo-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 66306827
2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 65399993
2-cycloheptyl-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66301128
6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66307233
5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine
CID 66294532
6-tert-butyl-5-iodo-2-(oxan-3-yl)pyrimidin-4-amine
CID 66306241
2-cyclooctyl-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 80611910

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine (CID 66298619) is 6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine is CNc1nc(C2CCCCCC2)nc(C(C)(C)C)c1I.
What is the InChIKey of 6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is OFOVZUINYXHDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26IN3/c1-16(2,3)13-12(17)15(18-4)20-14(19-13)11-9-7-5-6-8-10-11/h11H,5-10H2,1-4H3,(H,18,19,20).
What are the key properties of 6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine?
6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 387.31 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-cycloheptyl-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66298619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).