2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine

C13H21IN4 — CID 66299085

IUPAC2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
SMILESCCc1nc(N2CCCCCC2)nc(NC)c1I
InChIInChI=1S/C13H21IN4/c1-3-10-11(14)12(15-2)17-13(16-10)18-8-6-4-5-7-9-18/h3-9H2,1-2H3,(H,15,16,17)
InChIKeyMKFARDXVGTXBRX-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.07
Rot. Bonds3

About 2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine

2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 66299085) has the molecular formula C13H21IN4 and a molecular weight of 360.24 g/mol. Its IUPAC name is 2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
PubChem CID66299085
Molecular FormulaC13H21IN4
Molecular Weight360.24 g/mol
Exact Mass360.08
IUPAC Name2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
SMILESCCc1nc(N2CCCCCC2)nc(NC)c1I
InChIInChI=1S/C13H21IN4/c1-3-10-11(14)12(15-2)17-13(16-10)18-8-6-4-5-7-9-18/h3-9H2,1-2H3,(H,15,16,17)
InChIKeyMKFARDXVGTXBRX-UHFFFAOYSA-N
XLogP3.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.07
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

5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 66298260
2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine
CID 66307142
N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine
CID 66307589
5-ethyl-N,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190547
(6-ethyl-5-methyl-2-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 63561219
2-(4,6-diethyl-2-piperidin-1-ylpyrimidin-5-yl)-N-methylethanamine
CID 79219149
5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine
CID 66298476
6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine
CID 66300257
N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine
CID 66298577
6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine
CID 113432898
6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine
CID 66299616
6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine
CID 106445757

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine (CID 66299085) is 2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine is CCc1nc(N2CCCCCC2)nc(NC)c1I.
What is the InChIKey of 2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is MKFARDXVGTXBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21IN4/c1-3-10-11(14)12(15-2)17-13(16-10)18-8-6-4-5-7-9-18/h3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine?
2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 360.24 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66299085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).