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

C11H18IN3O — CID 116729582

IUPAC6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine
SMILESCCCC(OC)c1nc(N)c(I)c(CC)n1
InChIInChI=1S/C11H18IN3O/c1-4-6-8(16-3)11-14-7(5-2)9(12)10(13)15-11/h8H,4-6H2,1-3H3,(H2,13,14,15)
InChIKeySDSIZICDVAIEID-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.71
Rot. Bonds5

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

6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine (PubChem CID 116729582) has the molecular formula C11H18IN3O and a molecular weight of 335.19 g/mol. Its IUPAC name is 6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine
PubChem CID116729582
Molecular FormulaC11H18IN3O
Molecular Weight335.19 g/mol
Exact Mass335.05
IUPAC Name6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine
SMILESCCCC(OC)c1nc(N)c(I)c(CC)n1
InChIInChI=1S/C11H18IN3O/c1-4-6-8(16-3)11-14-7(5-2)9(12)10(13)15-11/h8H,4-6H2,1-3H3,(H2,13,14,15)
InChIKeySDSIZICDVAIEID-UHFFFAOYSA-N
XLogP2.71
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.71
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-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116730016
6-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine
CID 66295797
5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine
CID 79616383
6-ethyl-2-(1-methoxybutyl)-N,5-dimethylpyrimidin-4-amine
CID 116729190
4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine
CID 116734001
N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116729761
2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728659
6-ethyl-5-iodo-2-propylpyrimidin-4-amine
CID 66298675
6-cyclopropyl-5-iodo-2-(1-methoxypropyl)pyrimidin-4-amine
CID 116729911
5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 116729669
2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine
CID 116728648
5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine
CID 116729384

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine (CID 116729582) is 6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine is CCCC(OC)c1nc(N)c(I)c(CC)n1.
What is the InChIKey of 6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine?
The InChIKey is SDSIZICDVAIEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3O/c1-4-6-8(16-3)11-14-7(5-2)9(12)10(13)15-11/h8H,4-6H2,1-3H3,(H2,13,14,15).
What are the key properties of 6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine?
6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine has a molecular weight of 335.19 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine is sourced from PubChem (CID 116729582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).