2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine

C13H22IN3O — CID 66300153

IUPAC2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(COCC)nc(C(C)C)c1I
InChIInChI=1S/C13H22IN3O/c1-5-7-15-13-11(14)12(9(3)4)16-10(17-13)8-18-6-2/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyWONZMCQZTOZGJD-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.56
Rot. Bonds7

About 2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine

2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 66300153) has the molecular formula C13H22IN3O and a molecular weight of 363.24 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID66300153
Molecular FormulaC13H22IN3O
Molecular Weight363.24 g/mol
Exact Mass363.08
IUPAC Name2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(COCC)nc(C(C)C)c1I
InChIInChI=1S/C13H22IN3O/c1-5-7-15-13-11(14)12(9(3)4)16-10(17-13)8-18-6-2/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyWONZMCQZTOZGJD-UHFFFAOYSA-N
XLogP3.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.56
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

2-[2-(dimethylamino)ethyl]-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 115347066
5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine
CID 66299368
2-benzyl-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300352
5-iodo-2-(1-methoxy-2,2-dimethylpropyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 116729693
5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66299761
5-iodo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300150
5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine
CID 66304606
2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66305995
2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66300921
2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 79089362
5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 66300350
5-iodo-2-(5-methylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66296414

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 66300153) is 2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(COCC)nc(C(C)C)c1I.
What is the InChIKey of 2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is WONZMCQZTOZGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22IN3O/c1-5-7-15-13-11(14)12(9(3)4)16-10(17-13)8-18-6-2/h9H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine?
2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 363.24 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66300153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).