2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine

C10H16IN3O — CID 116729831

IUPAC2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine
SMILESCCOC(c1ncc(I)c(N)n1)C(C)C
InChIInChI=1S/C10H16IN3O/c1-4-15-8(6(2)3)10-13-5-7(11)9(12)14-10/h5-6,8H,4H2,1-3H3,(H2,12,13,14)
InChIKeyYQVARLWNHUHPPR-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.40
Rot. Bonds4

About 2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine

2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine (PubChem CID 116729831) has the molecular formula C10H16IN3O and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine
PubChem CID116729831
Molecular FormulaC10H16IN3O
Molecular Weight321.16 g/mol
Exact Mass321.03
IUPAC Name2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine
SMILESCCOC(c1ncc(I)c(N)n1)C(C)C
InChIInChI=1S/C10H16IN3O/c1-4-15-8(6(2)3)10-13-5-7(11)9(12)14-10/h5-6,8H,4H2,1-3H3,(H2,12,13,14)
InChIKeyYQVARLWNHUHPPR-UHFFFAOYSA-N
XLogP2.40
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.40
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-2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
CID 116729801
6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine
CID 116730162
2-(ethoxymethyl)-5-iodopyrimidin-4-amine
CID 66303101
1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine
CID 116731235
3-(1-ethoxy-2-methylpropyl)-5-iodo-1,2,4-thiadiazole
CID 102618411
2-(1-ethoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
CID 116728964
2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 116729448
5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine
CID 116729783
3-[(1S)-1-ethoxy-2-methylpropyl]-1-methyl-1,2,4-triazole
CID 177331407
4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid
CID 116640823
2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66306102
2-(4-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297425

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine (CID 116729831) is 2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine is CCOC(c1ncc(I)c(N)n1)C(C)C.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine?
The InChIKey is YQVARLWNHUHPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O/c1-4-15-8(6(2)3)10-13-5-7(11)9(12)14-10/h5-6,8H,4H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine?
2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine has a molecular weight of 321.16 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 116729831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).