5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine

C16H26IN3O — CID 80683736

IUPAC5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(C2(C)CCCCO2)nc(CCC)c1I
InChIInChI=1S/C16H26IN3O/c1-4-8-12-13(17)14(18-10-5-2)20-15(19-12)16(3)9-6-7-11-21-16/h4-11H2,1-3H3,(H,18,19,20)
InChIKeyQAYBHXVKHYJYMA-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.27
Rot. Bonds6

About 5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine

5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine (PubChem CID 80683736) has the molecular formula C16H26IN3O and a molecular weight of 403.31 g/mol. Its IUPAC name is 5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine
PubChem CID80683736
Molecular FormulaC16H26IN3O
Molecular Weight403.31 g/mol
Exact Mass403.11
IUPAC Name5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(C2(C)CCCCO2)nc(CCC)c1I
InChIInChI=1S/C16H26IN3O/c1-4-8-12-13(17)14(18-10-5-2)20-15(19-12)16(3)9-6-7-11-21-16/h4-11H2,1-3H3,(H,18,19,20)
InChIKeyQAYBHXVKHYJYMA-UHFFFAOYSA-N
XLogP4.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.27
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

5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine
CID 80681256
3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 80681808
6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80680945
5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine
CID 80681180
5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80681024
6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
CID 104611744
N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 80685788
2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 116776844
5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116776664
5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine
CID 66304606
6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
CID 116776378
5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80680622

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine (CID 80683736) is 5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine is CCCNc1nc(C2(C)CCCCO2)nc(CCC)c1I.
What is the InChIKey of 5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine?
The InChIKey is QAYBHXVKHYJYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26IN3O/c1-4-8-12-13(17)14(18-10-5-2)20-15(19-12)16(3)9-6-7-11-21-16/h4-11H2,1-3H3,(H,18,19,20).
What are the key properties of 5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine?
5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine has a molecular weight of 403.31 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80683736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).