5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine

C11H18IN3O — CID 66306125

IUPAC5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCOC)nc(C)c1I
InChIInChI=1S/C11H18IN3O/c1-4-6-13-11-10(12)8(2)14-9(15-11)5-7-16-3/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyCXHSWQQFYGPDGB-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.40
Rot. Bonds6

About 5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine

5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 66306125) has the molecular formula C11H18IN3O and a molecular weight of 335.19 g/mol. Its IUPAC name is 5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID66306125
Molecular FormulaC11H18IN3O
Molecular Weight335.19 g/mol
Exact Mass335.05
IUPAC Name5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCOC)nc(C)c1I
InChIInChI=1S/C11H18IN3O/c1-4-6-13-11-10(12)8(2)14-9(15-11)5-7-16-3/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyCXHSWQQFYGPDGB-UHFFFAOYSA-N
XLogP2.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-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

5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
CID 66307320
5-iodo-2-(1-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 116503015
N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine
CID 66298694
5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine
CID 66306718
5-iodo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 134094187
2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191471
5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine
CID 66304100
2-(methoxymethyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 62191495
5-iodo-6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 66305735
5-iodo-6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine
CID 66305130
6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine
CID 66299026
6-ethyl-5-iodo-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
CID 66300059

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine (CID 66306125) is 5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(CCOC)nc(C)c1I.
What is the InChIKey of 5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is CXHSWQQFYGPDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3O/c1-4-6-13-11-10(12)8(2)14-9(15-11)5-7-16-3/h4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine?
5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 335.19 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66306125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).