5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine

C11H18IN3O — CID 104844363

IUPAC5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
SMILESCC(C)OCCCCNc1ncc(I)cn1
InChIInChI=1S/C11H18IN3O/c1-9(2)16-6-4-3-5-13-11-14-7-10(12)8-15-11/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyYAGCXTPUWGZJTG-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.70
Rot. Bonds7

About 5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine

5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine (PubChem CID 104844363) has the molecular formula C11H18IN3O and a molecular weight of 335.19 g/mol. Its IUPAC name is 5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
PubChem CID104844363
Molecular FormulaC11H18IN3O
Molecular Weight335.19 g/mol
Exact Mass335.05
IUPAC Name5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
SMILESCC(C)OCCCCNc1ncc(I)cn1
InChIInChI=1S/C11H18IN3O/c1-9(2)16-6-4-3-5-13-11-14-7-10(12)8-15-11/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyYAGCXTPUWGZJTG-UHFFFAOYSA-N
XLogP2.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.70
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'}

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Related Compounds

N-(4-propan-2-yloxybutyl)quinazolin-2-amine
CID 106012372
4-methyl-2-(4-propan-2-yloxybutylamino)pyrimidine-5-carboxylic acid
CID 106003890
4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 106012404
2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012861
5-iodo-N-(3-methylbutyl)pyrimidin-2-amine
CID 115620521
5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
CID 104843854
5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012916
2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine
CID 106006897
N-(3-fluoropropyl)-5-iodopyrimidin-2-amine
CID 130504349
5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine
CID 104839983
3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 114137188
3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106012540

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine (CID 104844363) is 5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine is CC(C)OCCCCNc1ncc(I)cn1.
What is the InChIKey of 5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine?
The InChIKey is YAGCXTPUWGZJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3O/c1-9(2)16-6-4-3-5-13-11-14-7-10(12)8-15-11/h7-9H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine?
5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine has a molecular weight of 335.19 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine is sourced from PubChem (CID 104844363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).