5-propan-2-yloxypyrimidin-4-amine

C7H11N3O — CID 118598636

IUPAC5-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cncnc1N
InChIInChI=1S/C7H11N3O/c1-5(2)11-6-3-9-4-10-7(6)8/h3-5H,1-2H3,(H2,8,9,10)
InChIKeyJGMPREAXVCHNJQ-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.85
Rot. Bonds2

About 5-propan-2-yloxypyrimidin-4-amine

5-propan-2-yloxypyrimidin-4-amine (PubChem CID 118598636) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 5-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound Name5-propan-2-yloxypyrimidin-4-amine
PubChem CID118598636
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name5-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cncnc1N
InChIInChI=1S/C7H11N3O/c1-5(2)11-6-3-9-4-10-7(6)8/h3-5H,1-2H3,(H2,8,9,10)
InChIKeyJGMPREAXVCHNJQ-UHFFFAOYSA-N
XLogP0.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of 5-propan-2-yloxypyrimidin-4-amine (CID 118598636) is 5-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for 5-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for 5-propan-2-yloxypyrimidin-4-amine is CC(C)Oc1cncnc1N.
What is the InChIKey of 5-propan-2-yloxypyrimidin-4-amine?
The InChIKey is JGMPREAXVCHNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(2)11-6-3-9-4-10-7(6)8/h3-5H,1-2H3,(H2,8,9,10).
What are the key properties of 5-propan-2-yloxypyrimidin-4-amine?
5-propan-2-yloxypyrimidin-4-amine has a molecular weight of 153.19 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 118598636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).