4-pyrimidin-2-yloxan-4-amine

C9H13N3O — CID 126980358

IUPAC4-pyrimidin-2-yloxan-4-amine
SMILESNC1(c2ncccn2)CCOCC1
InChIInChI=1S/C9H13N3O/c10-9(2-6-13-7-3-9)8-11-4-1-5-12-8/h1,4-5H,2-3,6-7,10H2
InChIKeyRPYYVAWUQWDJLA-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.44
Rot. Bonds1

About 4-pyrimidin-2-yloxan-4-amine

4-pyrimidin-2-yloxan-4-amine (PubChem CID 126980358) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-pyrimidin-2-yloxan-4-amine.

Molecular Properties

Compound Name4-pyrimidin-2-yloxan-4-amine
PubChem CID126980358
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-pyrimidin-2-yloxan-4-amine
SMILESNC1(c2ncccn2)CCOCC1
InChIInChI=1S/C9H13N3O/c10-9(2-6-13-7-3-9)8-11-4-1-5-12-8/h1,4-5H,2-3,6-7,10H2
InChIKeyRPYYVAWUQWDJLA-UHFFFAOYSA-N
XLogP0.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-yloxan-4-amine?
The IUPAC name of 4-pyrimidin-2-yloxan-4-amine (CID 126980358) is 4-pyrimidin-2-yloxan-4-amine.
What is the SMILES notation for 4-pyrimidin-2-yloxan-4-amine?
The canonical SMILES for 4-pyrimidin-2-yloxan-4-amine is NC1(c2ncccn2)CCOCC1.
What is the InChIKey of 4-pyrimidin-2-yloxan-4-amine?
The InChIKey is RPYYVAWUQWDJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-9(2-6-13-7-3-9)8-11-4-1-5-12-8/h1,4-5H,2-3,6-7,10H2.
What are the key properties of 4-pyrimidin-2-yloxan-4-amine?
4-pyrimidin-2-yloxan-4-amine has a molecular weight of 179.22 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yloxan-4-amine is sourced from PubChem (CID 126980358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).