N-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine

C11H17IN4 — CID 116648595

IUPACN-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine
SMILESCCN(c1ncc(I)cn1)C1CCCNC1
InChIInChI=1S/C11H17IN4/c1-2-16(10-4-3-5-13-8-10)11-14-6-9(12)7-15-11/h6-7,10,13H,2-5,8H2,1H3
InChIKeyKGIMWEHLYHUCNG-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.66
Rot. Bonds3

About N-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine

N-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine (PubChem CID 116648595) has the molecular formula C11H17IN4 and a molecular weight of 332.19 g/mol. Its IUPAC name is N-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine
PubChem CID116648595
Molecular FormulaC11H17IN4
Molecular Weight332.19 g/mol
Exact Mass332.05
IUPAC NameN-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine
SMILESCCN(c1ncc(I)cn1)C1CCCNC1
InChIInChI=1S/C11H17IN4/c1-2-16(10-4-3-5-13-8-10)11-14-6-9(12)7-15-11/h6-7,10,13H,2-5,8H2,1H3
InChIKeyKGIMWEHLYHUCNG-UHFFFAOYSA-N
XLogP1.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine
CID 63638105
N-ethyl-4,6-dimethyl-N-piperidin-3-ylpyrimidin-2-amine
CID 55245888
N-ethyl-5-methoxy-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 114600914
N-ethyl-4-methyl-N-piperidin-3-ylpyrimidin-2-amine
CID 63637344
N-(azetidin-3-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 66182420
N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine
CID 112676152
5-ethyl-N-methyl-N-piperidin-3-ylpyrimidin-2-amine
CID 116977534
6-[ethyl(piperidin-3-yl)amino]pyridine-3-carboxamide
CID 63637691
N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine
CID 55244163
3-bromo-N-ethyl-4-methyl-5-nitro-N-piperidin-3-ylpyridin-2-amine
CID 104508226
2-N-cyclohexyl-2-N-ethylpyrimidine-2,5-diamine
CID 61147065
3,6-dimethyl-N-piperidin-3-yl-N-propylpyrazin-2-amine
CID 63636338

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine?
The IUPAC name of N-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine (CID 116648595) is N-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine is CCN(c1ncc(I)cn1)C1CCCNC1.
What is the InChIKey of N-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine?
The InChIKey is KGIMWEHLYHUCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4/c1-2-16(10-4-3-5-13-8-10)11-14-6-9(12)7-15-11/h6-7,10,13H,2-5,8H2,1H3.
What are the key properties of N-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine?
N-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine has a molecular weight of 332.19 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 116648595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).