4-butyl-5-iodo-6-methyl-1H-pyrimidine-2,4-diamine

C9H17IN4 — CID 150556739

IUPAC4-butyl-5-iodo-6-methyl-1H-pyrimidine-2,4-diamine
SMILESCCCCC1(N)N=C(N)NC(C)=C1I
InChIInChI=1S/C9H17IN4/c1-3-4-5-9(12)7(10)6(2)13-8(11)14-9/h3-5,12H2,1-2H3,(H3,11,13,14)
InChIKeyIIZPJEVNSGLKRG-UHFFFAOYSA-N
MW308.17 g/mol
LogP1.42
Rot. Bonds3

About 4-butyl-5-iodo-6-methyl-1H-pyrimidine-2,4-diamine

4-butyl-5-iodo-6-methyl-1H-pyrimidine-2,4-diamine (PubChem CID 150556739) has the molecular formula C9H17IN4 and a molecular weight of 308.17 g/mol. Its IUPAC name is 4-butyl-5-iodo-6-methyl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-butyl-5-iodo-6-methyl-1H-pyrimidine-2,4-diamine
PubChem CID150556739
Molecular FormulaC9H17IN4
Molecular Weight308.17 g/mol
Exact Mass308.05
IUPAC Name4-butyl-5-iodo-6-methyl-1H-pyrimidine-2,4-diamine
SMILESCCCCC1(N)N=C(N)NC(C)=C1I
InChIInChI=1S/C9H17IN4/c1-3-4-5-9(12)7(10)6(2)13-8(11)14-9/h3-5,12H2,1-2H3,(H3,11,13,14)
InChIKeyIIZPJEVNSGLKRG-UHFFFAOYSA-N
XLogP1.42
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-butyl-5-iodo-6-methyl-1H-pyrimidine-2,4-diamine 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 4-butyl-5-iodo-6-methyl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-butyl-5-iodo-6-methyl-1H-pyrimidine-2,4-diamine (CID 150556739) is 4-butyl-5-iodo-6-methyl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-butyl-5-iodo-6-methyl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-butyl-5-iodo-6-methyl-1H-pyrimidine-2,4-diamine is CCCCC1(N)N=C(N)NC(C)=C1I.
What is the InChIKey of 4-butyl-5-iodo-6-methyl-1H-pyrimidine-2,4-diamine?
The InChIKey is IIZPJEVNSGLKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IN4/c1-3-4-5-9(12)7(10)6(2)13-8(11)14-9/h3-5,12H2,1-2H3,(H3,11,13,14).
What are the key properties of 4-butyl-5-iodo-6-methyl-1H-pyrimidine-2,4-diamine?
4-butyl-5-iodo-6-methyl-1H-pyrimidine-2,4-diamine has a molecular weight of 308.17 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-iodo-6-methyl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 150556739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).