5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine

C13H14IN3O — CID 104839983

IUPAC5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine
SMILESIc1cnc(NCCCOc2ccccc2)nc1
InChIInChI=1S/C13H14IN3O/c14-11-9-16-13(17-10-11)15-7-4-8-18-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2,(H,15,16,17)
InChIKeyYPXHNKDGETYSAT-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.96
Rot. Bonds6

About 5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine

5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine (PubChem CID 104839983) has the molecular formula C13H14IN3O and a molecular weight of 355.18 g/mol. Its IUPAC name is 5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine
PubChem CID104839983
Molecular FormulaC13H14IN3O
Molecular Weight355.18 g/mol
Exact Mass355.02
IUPAC Name5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine
SMILESIc1cnc(NCCCOc2ccccc2)nc1
InChIInChI=1S/C13H14IN3O/c14-11-9-16-13(17-10-11)15-7-4-8-18-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2,(H,15,16,17)
InChIKeyYPXHNKDGETYSAT-UHFFFAOYSA-N
XLogP2.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.96
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-(3-phenoxypropyl)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-(3-fluoropropyl)-5-iodopyrimidin-2-amine
CID 130504349
1-iodo-4-(3-phenoxypropoxy)benzene
CID 60665273
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine
CID 105362593
5-methoxy-N-(3-phenoxypropyl)pyridin-2-amine
CID 106504081
6-hydrazinyl-N-(3-phenoxypropyl)pyrazin-2-amine
CID 80918884
5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 104844363
N-methyl-3-phenoxypropan-1-amine
CID 22067856
3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine
CID 113413693
6-(3-phenoxypropylamino)pyridine-3-carbonitrile
CID 60706290
2,6-difluoro-N-(3-phenoxypropyl)aniline
CID 62937465
2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine
CID 80827502

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine (CID 104839983) is 5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine is Ic1cnc(NCCCOc2ccccc2)nc1.
What is the InChIKey of 5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine?
The InChIKey is YPXHNKDGETYSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O/c14-11-9-16-13(17-10-11)15-7-4-8-18-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2,(H,15,16,17).
What are the key properties of 5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine?
5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine has a molecular weight of 355.18 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 104839983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).