5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine

C11H16IN3 — CID 65417799

IUPAC5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine
SMILESCC1CCCC(Nc2ncncc2I)C1
InChIInChI=1S/C11H16IN3/c1-8-3-2-4-9(5-8)15-11-10(12)6-13-7-14-11/h6-9H,2-5H2,1H3,(H,13,14,15)
InChIKeyFLQNCCSLUGFUED-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.07
Rot. Bonds2

About 5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine

5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 65417799) has the molecular formula C11H16IN3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine
PubChem CID65417799
Molecular FormulaC11H16IN3
Molecular Weight317.17 g/mol
Exact Mass317.04
IUPAC Name5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine
SMILESCC1CCCC(Nc2ncncc2I)C1
InChIInChI=1S/C11H16IN3/c1-8-3-2-4-9(5-8)15-11-10(12)6-13-7-14-11/h6-9H,2-5H2,1H3,(H,13,14,15)
InChIKeyFLQNCCSLUGFUED-UHFFFAOYSA-N
XLogP3.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine (CID 65417799) is 5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine is CC1CCCC(Nc2ncncc2I)C1.
What is the InChIKey of 5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is FLQNCCSLUGFUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3/c1-8-3-2-4-9(5-8)15-11-10(12)6-13-7-14-11/h6-9H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine?
5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 317.17 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 65417799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).