4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine

C11H17IN4 — CID 79110333

IUPAC4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ncncc2I)CC1
InChIInChI=1S/C11H17IN4/c1-13-8-2-4-9(5-3-8)16-11-10(12)6-14-7-15-11/h6-9,13H,2-5H2,1H3,(H,14,15,16)
InChIKeyUVCRZLVIQUBCGH-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.02
Rot. Bonds3

About 4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine

4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine (PubChem CID 79110333) has the molecular formula C11H17IN4 and a molecular weight of 332.19 g/mol. Its IUPAC name is 4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
PubChem CID79110333
Molecular FormulaC11H17IN4
Molecular Weight332.19 g/mol
Exact Mass332.05
IUPAC Name4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ncncc2I)CC1
InChIInChI=1S/C11H17IN4/c1-13-8-2-4-9(5-3-8)16-11-10(12)6-14-7-15-11/h6-9,13H,2-5H2,1H3,(H,14,15,16)
InChIKeyUVCRZLVIQUBCGH-UHFFFAOYSA-N
XLogP2.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine (CID 79110333) is 4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine is CNC1CCC(Nc2ncncc2I)CC1.
What is the InChIKey of 4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine?
The InChIKey is UVCRZLVIQUBCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4/c1-13-8-2-4-9(5-3-8)16-11-10(12)6-14-7-15-11/h6-9,13H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine?
4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine has a molecular weight of 332.19 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79110333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).