5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine

C9H14IN3S — CID 104843854

IUPAC5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
SMILESCSCCCCNc1ncc(I)cn1
InChIInChI=1S/C9H14IN3S/c1-14-5-3-2-4-11-9-12-6-8(10)7-13-9/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyMMTSDZBNMRKOMV-UHFFFAOYSA-N
MW323.20 g/mol
LogP2.64
Rot. Bonds6

About 5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine

5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine (PubChem CID 104843854) has the molecular formula C9H14IN3S and a molecular weight of 323.20 g/mol. Its IUPAC name is 5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
PubChem CID104843854
Molecular FormulaC9H14IN3S
Molecular Weight323.20 g/mol
Exact Mass323.00
IUPAC Name5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
SMILESCSCCCCNc1ncc(I)cn1
InChIInChI=1S/C9H14IN3S/c1-14-5-3-2-4-11-9-12-6-8(10)7-13-9/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyMMTSDZBNMRKOMV-UHFFFAOYSA-N
XLogP2.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-N-(4-methylsulfanylbutyl)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

N-(5-methylsulfanylpentyl)pyrimidin-2-amine
CID 104925501
N-(3-fluoropropyl)-5-iodopyrimidin-2-amine
CID 130504349
5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 104844363
N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine
CID 104840124
5-iodo-N-(4,4,4-trifluorobutyl)pyrimidin-2-amine
CID 104844015
5-fluoro-2-N-methyl-4-N-(6-methylsulfanylhexyl)pyrimidine-2,4-diamine
CID 114126675
5-iodo-N-(3-methylbutyl)pyrimidin-2-amine
CID 115620521
4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
CID 115637365
5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine
CID 104844019
1-[(5-iodopyrimidin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 104843880
5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine
CID 104839983
N-(4-methylsulfanylbutyl)pyridin-2-amine
CID 115637469

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine (CID 104843854) is 5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine is CSCCCCNc1ncc(I)cn1.
What is the InChIKey of 5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine?
The InChIKey is MMTSDZBNMRKOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3S/c1-14-5-3-2-4-11-9-12-6-8(10)7-13-9/h6-7H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine?
5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine has a molecular weight of 323.20 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 104843854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).