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

C10H15IN4 — CID 66341197

IUPAC4-N-(5-iodopyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ncncc2I)CC1
InChIInChI=1S/C10H15IN4/c11-9-5-13-6-14-10(9)15-8-3-1-7(12)2-4-8/h5-8H,1-4,12H2,(H,13,14,15)
InChIKeyBHZQZYGDIVNYPM-UHFFFAOYSA-N
MW318.16 g/mol
LogP1.76
Rot. Bonds2

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

4-N-(5-iodopyrimidin-4-yl)cyclohexane-1,4-diamine (PubChem CID 66341197) has the molecular formula C10H15IN4 and a molecular weight of 318.16 g/mol. Its IUPAC name is 4-N-(5-iodopyrimidin-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-iodopyrimidin-4-yl)cyclohexane-1,4-diamine
PubChem CID66341197
Molecular FormulaC10H15IN4
Molecular Weight318.16 g/mol
Exact Mass318.03
IUPAC Name4-N-(5-iodopyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ncncc2I)CC1
InChIInChI=1S/C10H15IN4/c11-9-5-13-6-14-10(9)15-8-3-1-7(12)2-4-8/h5-8H,1-4,12H2,(H,13,14,15)
InChIKeyBHZQZYGDIVNYPM-UHFFFAOYSA-N
XLogP1.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79110333
N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66339901
5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 65417799
N-(5-iodopyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 66341278
N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine
CID 65418018
N-(1,3-dimethylpiperidin-4-yl)-5-iodopyrimidin-4-amine
CID 114504858
5-iodo-N-(2-methylthiolan-3-yl)pyrimidin-4-amine
CID 130655835
1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 66320288
N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66343239
[2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol
CID 106361969
5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414024
4-N-(5-methylpyrimidin-2-yl)cyclohexane-1,4-diamine
CID 63208372

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-iodopyrimidin-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5-iodopyrimidin-4-yl)cyclohexane-1,4-diamine (CID 66341197) is 4-N-(5-iodopyrimidin-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5-iodopyrimidin-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5-iodopyrimidin-4-yl)cyclohexane-1,4-diamine is NC1CCC(Nc2ncncc2I)CC1.
What is the InChIKey of 4-N-(5-iodopyrimidin-4-yl)cyclohexane-1,4-diamine?
The InChIKey is BHZQZYGDIVNYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4/c11-9-5-13-6-14-10(9)15-8-3-1-7(12)2-4-8/h5-8H,1-4,12H2,(H,13,14,15).
What are the key properties of 4-N-(5-iodopyrimidin-4-yl)cyclohexane-1,4-diamine?
4-N-(5-iodopyrimidin-4-yl)cyclohexane-1,4-diamine has a molecular weight of 318.16 g/mol, XLogP of 1.76, 2 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)cyclohexane-1,4-diamine is sourced from PubChem (CID 66341197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).