N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine

C13H22IN3O2 — CID 116729761

IUPACN-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCCC(OC)c1nc(COC)c(I)c(NCC)n1
InChIInChI=1S/C13H22IN3O2/c1-5-7-10(19-4)12-16-9(8-18-3)11(14)13(17-12)15-6-2/h10H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyMIJIFSKCPBUUAX-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.15
Rot. Bonds8

About N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine

N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 116729761) has the molecular formula C13H22IN3O2 and a molecular weight of 379.24 g/mol. Its IUPAC name is N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID116729761
Molecular FormulaC13H22IN3O2
Molecular Weight379.24 g/mol
Exact Mass379.08
IUPAC NameN-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCCC(OC)c1nc(COC)c(I)c(NCC)n1
InChIInChI=1S/C13H22IN3O2/c1-5-7-10(19-4)12-16-9(8-18-3)11(14)13(17-12)15-6-2/h10H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyMIJIFSKCPBUUAX-UHFFFAOYSA-N
XLogP3.15
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.15
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

2-(1-ethoxybutyl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 116729776
6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine
CID 116729923
N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
CID 116729449
N-ethyl-5-iodo-2-(2-methoxybutan-2-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116777004
2-(1-ethoxypropyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116729749
6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine
CID 116729582
5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 116729669
6-ethyl-2-(1-methoxybutyl)-N,5-dimethylpyrimidin-4-amine
CID 116729190
5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116729723
N,6-diethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66298311
2-[2-(diethylamino)ethyl]-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66302832
N-ethyl-5-iodo-6-(methoxymethyl)-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388640

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine (CID 116729761) is N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine is CCCC(OC)c1nc(COC)c(I)c(NCC)n1.
What is the InChIKey of N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is MIJIFSKCPBUUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22IN3O2/c1-5-7-10(19-4)12-16-9(8-18-3)11(14)13(17-12)15-6-2/h10H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine?
N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 379.24 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 116729761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).