5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

C13H22IN3O — CID 116729669

IUPAC5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCCC(OC)c1nc(NC)c(I)c(C(C)C)n1
InChIInChI=1S/C13H22IN3O/c1-6-7-9(18-5)12-16-11(8(2)3)10(14)13(15-4)17-12/h8-9H,6-7H2,1-5H3,(H,15,16,17)
InChIKeySHXBGZIXMYBIOS-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.73
Rot. Bonds6

About 5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 116729669) has the molecular formula C13H22IN3O and a molecular weight of 363.24 g/mol. Its IUPAC name is 5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID116729669
Molecular FormulaC13H22IN3O
Molecular Weight363.24 g/mol
Exact Mass363.08
IUPAC Name5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCCC(OC)c1nc(NC)c(I)c(C(C)C)n1
InChIInChI=1S/C13H22IN3O/c1-6-7-9(18-5)12-16-11(8(2)3)10(14)13(15-4)17-12/h8-9H,6-7H2,1-5H3,(H,15,16,17)
InChIKeySHXBGZIXMYBIOS-UHFFFAOYSA-N
XLogP3.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopentyl-5-iodo-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine
CID 116730168
6-ethyl-2-(1-methoxybutyl)-N,5-dimethylpyrimidin-4-amine
CID 116729190
2-ethyl-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66300921
5-bromo-4-chloro-2-(1-methoxybutyl)-6-propan-2-ylpyrimidine
CID 116706495
5-iodo-2-(1-methoxy-2,2-dimethylpropyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 116729693
5-iodo-2-(1-methoxybutyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136983253
N-ethyl-5-iodo-2-(1-methoxybutyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116729761
5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine
CID 66299368
6-cyclopropyl-N-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine
CID 116729923
2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
CID 116730198
6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine
CID 116729582
6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine
CID 116728869

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 116729669) is 5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is CCCC(OC)c1nc(NC)c(I)c(C(C)C)n1.
What is the InChIKey of 5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is SHXBGZIXMYBIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22IN3O/c1-6-7-9(18-5)12-16-11(8(2)3)10(14)13(15-4)17-12/h8-9H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 363.24 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-methoxybutyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 116729669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).