5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine

C9H14IN3S — CID 104844019

IUPAC5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine
SMILESCSC(C)(C)CNc1ncc(I)cn1
InChIInChI=1S/C9H14IN3S/c1-9(2,14-3)6-13-8-11-4-7(10)5-12-8/h4-5H,6H2,1-3H3,(H,11,12,13)
InChIKeyZVHNJJXGHCWPNO-UHFFFAOYSA-N
MW323.20 g/mol
LogP2.63
Rot. Bonds4

About 5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine

5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine (PubChem CID 104844019) has the molecular formula C9H14IN3S and a molecular weight of 323.20 g/mol. Its IUPAC name is 5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine
PubChem CID104844019
Molecular FormulaC9H14IN3S
Molecular Weight323.20 g/mol
Exact Mass323.00
IUPAC Name5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine
SMILESCSC(C)(C)CNc1ncc(I)cn1
InChIInChI=1S/C9H14IN3S/c1-9(2,14-3)6-13-8-11-4-7(10)5-12-8/h4-5H,6H2,1-3H3,(H,11,12,13)
InChIKeyZVHNJJXGHCWPNO-UHFFFAOYSA-N
XLogP2.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-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-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine
CID 115750228
N-(2-methyl-2-methylsulfanylpropyl)-5-nitropyrimidin-2-amine
CID 104626121
1-[(5-iodopyrimidin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 104843880
N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine
CID 104840124
3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 104844185
1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 116648440
5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
CID 104843854
2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide
CID 104839937
5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine
CID 102907842
N-butan-2-yl-5-iodopyrimidin-2-amine
CID 104839757
5-iodo-N-(3-methylbutyl)pyrimidin-2-amine
CID 115620521
1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol
CID 104843838

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine (CID 104844019) is 5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine is CSC(C)(C)CNc1ncc(I)cn1.
What is the InChIKey of 5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine?
The InChIKey is ZVHNJJXGHCWPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3S/c1-9(2,14-3)6-13-8-11-4-7(10)5-12-8/h4-5H,6H2,1-3H3,(H,11,12,13).
What are the key properties of 5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine?
5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine has a molecular weight of 323.20 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 104844019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).