1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine

C12H19IN4 — CID 115309628

IUPAC1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
SMILESNCC(Nc1ncncc1I)C1CCCCC1
InChIInChI=1S/C12H19IN4/c13-10-7-15-8-16-12(10)17-11(6-14)9-4-2-1-3-5-9/h7-9,11H,1-6,14H2,(H,15,16,17)
InChIKeySOOFHNCHGVHYLI-UHFFFAOYSA-N
MW346.22 g/mol
LogP2.40
Rot. Bonds4

About 1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine

1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 115309628) has the molecular formula C12H19IN4 and a molecular weight of 346.22 g/mol. Its IUPAC name is 1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
PubChem CID115309628
Molecular FormulaC12H19IN4
Molecular Weight346.22 g/mol
Exact Mass346.07
IUPAC Name1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
SMILESNCC(Nc1ncncc1I)C1CCCCC1
InChIInChI=1S/C12H19IN4/c13-10-7-15-8-16-12(10)17-11(6-14)9-4-2-1-3-5-9/h7-9,11H,1-6,14H2,(H,15,16,17)
InChIKeySOOFHNCHGVHYLI-UHFFFAOYSA-N
XLogP2.40
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 52.40
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

N-(1-cyclopentylethyl)-5-iodopyrimidin-4-amine
CID 66341039
N-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine
CID 105370003
1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 106738090
1-cyclohexyl-N-(6-ethoxy-5-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 115309407
N-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine
CID 103582869
N-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine
CID 106738307
1-cyclohexyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 113283795
N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine
CID 65418018
1-cyclohexyl-N-(5-nitropyrimidin-2-yl)ethane-1,2-diamine
CID 115309590
N-(2-amino-1-cyclohexylethyl)-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride
CID 119590078
1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309440
N-(5-bromoisoquinolin-1-yl)-1-cyclohexylethane-1,2-diamine
CID 106540984

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine (CID 115309628) is 1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine is NCC(Nc1ncncc1I)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is SOOFHNCHGVHYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN4/c13-10-7-15-8-16-12(10)17-11(6-14)9-4-2-1-3-5-9/h7-9,11H,1-6,14H2,(H,15,16,17).
What are the key properties of 1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine?
1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 346.22 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 115309628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).