5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine

C13H20IN3O — CID 113391678

IUPAC5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CC2CCCCO2)nc(N)c1I
InChIInChI=1S/C13H20IN3O/c1-2-5-10-12(14)13(15)17-11(16-10)8-9-6-3-4-7-18-9/h9H,2-8H2,1H3,(H2,15,16,17)
InChIKeyQMTQLIPRLCOUKP-UHFFFAOYSA-N
MW361.23 g/mol
LogP2.73
Rot. Bonds4

About 5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine

5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine (PubChem CID 113391678) has the molecular formula C13H20IN3O and a molecular weight of 361.23 g/mol. Its IUPAC name is 5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine
PubChem CID113391678
Molecular FormulaC13H20IN3O
Molecular Weight361.23 g/mol
Exact Mass361.07
IUPAC Name5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CC2CCCCO2)nc(N)c1I
InChIInChI=1S/C13H20IN3O/c1-2-5-10-12(14)13(15)17-11(16-10)8-9-6-3-4-7-18-9/h9H,2-8H2,1H3,(H2,15,16,17)
InChIKeyQMTQLIPRLCOUKP-UHFFFAOYSA-N
XLogP2.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66301056
5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 66307742
6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681350
2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 79089175
5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine
CID 66304470
5-iodo-6-(methoxymethyl)-N-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66303027
2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 79219301
6-tert-butyl-N-ethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66300985
3-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-1-amine
CID 55113677
2-(oxolan-2-ylmethyl)pyrimidin-5-amine
CID 43142229
4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine
CID 113391207
2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66307569

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine (CID 113391678) is 5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine is CCCc1nc(CC2CCCCO2)nc(N)c1I.
What is the InChIKey of 5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine?
The InChIKey is QMTQLIPRLCOUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3O/c1-2-5-10-12(14)13(15)17-11(16-10)8-9-6-3-4-7-18-9/h9H,2-8H2,1H3,(H2,15,16,17).
What are the key properties of 5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine?
5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine has a molecular weight of 361.23 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 113391678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).