2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine

C10H17IN4 — CID 79089175

IUPAC2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CN(C)C)nc(N)c1I
InChIInChI=1S/C10H17IN4/c1-4-5-7-9(11)10(12)14-8(13-7)6-15(2)3/h4-6H2,1-3H3,(H2,12,13,14)
InChIKeyYEUWLJJDJZUDCT-UHFFFAOYSA-N
MW320.18 g/mol
LogP1.68
Rot. Bonds4

About 2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine

2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 79089175) has the molecular formula C10H17IN4 and a molecular weight of 320.18 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine
PubChem CID79089175
Molecular FormulaC10H17IN4
Molecular Weight320.18 g/mol
Exact Mass320.05
IUPAC Name2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CN(C)C)nc(N)c1I
InChIInChI=1S/C10H17IN4/c1-4-5-7-9(11)10(12)14-8(13-7)6-15(2)3/h4-6H2,1-3H3,(H2,12,13,14)
InChIKeyYEUWLJJDJZUDCT-UHFFFAOYSA-N
XLogP1.68
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(dimethylamino)methyl]-5-iodo-6-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

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine (CID 79089175) is 2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(CN(C)C)nc(N)c1I.
What is the InChIKey of 2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is YEUWLJJDJZUDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4/c1-4-5-7-9(11)10(12)14-8(13-7)6-15(2)3/h4-6H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine?
2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 320.18 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 79089175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).