N-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine

C13H20IN3O2 — CID 66302625

IUPACN-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CCCOC2)nc(COC)c1I
InChIInChI=1S/C13H20IN3O2/c1-3-15-13-11(14)10(8-18-2)16-12(17-13)9-5-4-6-19-7-9/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyJPEGNNZBZDPXDE-UHFFFAOYSA-N
MW377.23 g/mol
LogP2.55
Rot. Bonds5

About N-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine

N-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine (PubChem CID 66302625) has the molecular formula C13H20IN3O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is N-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine
PubChem CID66302625
Molecular FormulaC13H20IN3O2
Molecular Weight377.23 g/mol
Exact Mass377.06
IUPAC NameN-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CCCOC2)nc(COC)c1I
InChIInChI=1S/C13H20IN3O2/c1-3-15-13-11(14)10(8-18-2)16-12(17-13)9-5-4-6-19-7-9/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyJPEGNNZBZDPXDE-UHFFFAOYSA-N
XLogP2.55
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
CID 66305719
5-bromo-N-ethyl-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
CID 66307264
N-ethyl-5-iodo-6-(methoxymethyl)-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388640
5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 80610799
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66302835
N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine
CID 63739311
5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine
CID 66304470
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984091
2-cyclobutyl-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299102
5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine
CID 66302403
N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116729761
2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66304036

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine (CID 66302625) is N-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine is CCNc1nc(C2CCCOC2)nc(COC)c1I.
What is the InChIKey of N-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine?
The InChIKey is JPEGNNZBZDPXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3O2/c1-3-15-13-11(14)10(8-18-2)16-12(17-13)9-5-4-6-19-7-9/h9H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine?
N-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine has a molecular weight of 377.23 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 66302625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).