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-ethyl-5-[[methyl-[[(3R)-oxolan-3-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 129623168
2-butoxy-N-ethyl-5-fluoropyrimidin-4-amine
CID 57818761
N-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 129014326
5-Fluoro-2-[4-(methylamino)butan-2-yloxy]pyrimidin-4-amine
CID 143702982
3-(5-fluoropyrimidin-2-yl)oxy-N-methylcyclobutan-1-amine
CID 170354907
2-chloro-5-fluoro-N-(4-methoxybutyl)pyrimidin-4-amine
CID 79081458
5-fluoro-4-N-(4-methoxybutyl)pyrimidine-2,4-diamine
CID 80812257
5-fluoro-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine
CID 80812607
5-fluoro-4-N-(4-methoxybutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80812707
2-N-ethyl-5-fluoro-4-N-(4-methoxybutyl)pyrimidine-2,4-diamine
CID 80812955
N-(3-ethoxycyclobutyl)-5-fluoropyrimidin-2-amine
CID 102609258
5-fluoro-N-(2-methoxypropyl)pyrimidin-2-amine
CID 102699095

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).