N-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine

C12H18IN3 — CID 116648402

IUPACN-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine
SMILESCC(Nc1ncc(I)cn1)C1CCCCC1
InChIInChI=1S/C12H18IN3/c1-9(10-5-3-2-4-6-10)16-12-14-7-11(13)8-15-12/h7-10H,2-6H2,1H3,(H,14,15,16)
InChIKeyKQCROXFBQMZNTL-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.46
Rot. Bonds3

About N-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine

N-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine (PubChem CID 116648402) has the molecular formula C12H18IN3 and a molecular weight of 331.20 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine
PubChem CID116648402
Molecular FormulaC12H18IN3
Molecular Weight331.20 g/mol
Exact Mass331.05
IUPAC NameN-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine
SMILESCC(Nc1ncc(I)cn1)C1CCCCC1
InChIInChI=1S/C12H18IN3/c1-9(10-5-3-2-4-6-10)16-12-14-7-11(13)8-15-12/h7-10H,2-6H2,1H3,(H,14,15,16)
InChIKeyKQCROXFBQMZNTL-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-cyclohexylethyl)-5-iodopyrimidin-2-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

N-(1-cyclobutylethyl)pyrimidin-2-amine
CID 115766758
5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine
CID 103826213
N-(1-cyclopentylethyl)-5-iodopyrimidin-4-amine
CID 66341039
5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine
CID 80919360
5-iodo-N-(2-propan-2-ylcyclohexyl)pyrimidin-2-amine
CID 116648454
2-N-(1-cyclohexylethyl)pyridine-2,5-diamine
CID 62406978
N-(1-cyclohexylethyl)-3,5-difluoropyridin-2-amine
CID 112675822
5-chloro-N-(1-cyclohexylethyl)pyridin-2-amine
CID 62406315
4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one
CID 137015485
5-cyclopentyl-N-propan-2-ylpyrimidin-2-amine
CID 116977251
N-butan-2-yl-5-iodopyrimidin-2-amine
CID 104839757
N-(1-cyclopentylethyl)-1-propan-2-ylimidazol-2-amine
CID 106573564

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine?
The IUPAC name of N-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine (CID 116648402) is N-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine is CC(Nc1ncc(I)cn1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine?
The InChIKey is KQCROXFBQMZNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3/c1-9(10-5-3-2-4-6-10)16-12-14-7-11(13)8-15-12/h7-10H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine?
N-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine has a molecular weight of 331.20 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine is sourced from PubChem (CID 116648402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).