4-propan-2-yloxypteridin-2-amine

C9H11N5O — CID 11148414

IUPAC4-propan-2-yloxypteridin-2-amine
SMILESCC(C)Oc1nc(N)nc2nccnc12
InChIInChI=1S/C9H11N5O/c1-5(2)15-8-6-7(12-4-3-11-6)13-9(10)14-8/h3-5H,1-2H3,(H2,10,12,13,14)
InChIKeyGCOXWJWUQJLHOI-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.79
Rot. Bonds2

About 4-propan-2-yloxypteridin-2-amine

4-propan-2-yloxypteridin-2-amine (PubChem CID 11148414) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-propan-2-yloxypteridin-2-amine.

Molecular Properties

Compound Name4-propan-2-yloxypteridin-2-amine
PubChem CID11148414
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name4-propan-2-yloxypteridin-2-amine
SMILESCC(C)Oc1nc(N)nc2nccnc12
InChIInChI=1S/C9H11N5O/c1-5(2)15-8-6-7(12-4-3-11-6)13-9(10)14-8/h3-5H,1-2H3,(H2,10,12,13,14)
InChIKeyGCOXWJWUQJLHOI-UHFFFAOYSA-N
XLogP0.79
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxypteridin-2-amine?
The IUPAC name of 4-propan-2-yloxypteridin-2-amine (CID 11148414) is 4-propan-2-yloxypteridin-2-amine.
What is the SMILES notation for 4-propan-2-yloxypteridin-2-amine?
The canonical SMILES for 4-propan-2-yloxypteridin-2-amine is CC(C)Oc1nc(N)nc2nccnc12.
What is the InChIKey of 4-propan-2-yloxypteridin-2-amine?
The InChIKey is GCOXWJWUQJLHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-5(2)15-8-6-7(12-4-3-11-6)13-9(10)14-8/h3-5H,1-2H3,(H2,10,12,13,14).
What are the key properties of 4-propan-2-yloxypteridin-2-amine?
4-propan-2-yloxypteridin-2-amine has a molecular weight of 205.22 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxypteridin-2-amine is sourced from PubChem (CID 11148414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).