5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine

C14H22IN3O2 — CID 66304470

IUPAC5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC2CCCO2)nc(COC)c1I
InChIInChI=1S/C14H22IN3O2/c1-3-6-16-14-13(15)11(9-19-2)17-12(18-14)8-10-5-4-7-20-10/h10H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyAUMMZKAQGNQSGM-UHFFFAOYSA-N
MW391.25 g/mol
LogP2.77
Rot. Bonds7

About 5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine

5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine (PubChem CID 66304470) has the molecular formula C14H22IN3O2 and a molecular weight of 391.25 g/mol. Its IUPAC name is 5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine
PubChem CID66304470
Molecular FormulaC14H22IN3O2
Molecular Weight391.25 g/mol
Exact Mass391.08
IUPAC Name5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC2CCCO2)nc(COC)c1I
InChIInChI=1S/C14H22IN3O2/c1-3-6-16-14-13(15)11(9-19-2)17-12(18-14)8-10-5-4-7-20-10/h10H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyAUMMZKAQGNQSGM-UHFFFAOYSA-N
XLogP2.77
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-6-(methoxymethyl)-N-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66303027
N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66301056
6-tert-butyl-N-ethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66300985
5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 66307742
N-[[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62745830
3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268927
5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 113391678
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62745109
5-iodo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 66301614
2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 79219301
N-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine
CID 66302625
5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine
CID 66304606

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine (CID 66304470) is 5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine is CCCNc1nc(CC2CCCO2)nc(COC)c1I.
What is the InChIKey of 5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine?
The InChIKey is AUMMZKAQGNQSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN3O2/c1-3-6-16-14-13(15)11(9-19-2)17-12(18-14)8-10-5-4-7-20-10/h10H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine?
5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine has a molecular weight of 391.25 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66304470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).