2-(oxan-2-yl)pyrimidin-5-amine

C9H13N3O — CID 126971971

IUPAC2-(oxan-2-yl)pyrimidin-5-amine
SMILESNc1cnc(C2CCCCO2)nc1
InChIInChI=1S/C9H13N3O/c10-7-5-11-9(12-6-7)8-3-1-2-4-13-8/h5-6,8H,1-4,10H2
InChIKeyRROZYWUHXKWYJM-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.30
Rot. Bonds1

About 2-(oxan-2-yl)pyrimidin-5-amine

2-(oxan-2-yl)pyrimidin-5-amine (PubChem CID 126971971) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(oxan-2-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(oxan-2-yl)pyrimidin-5-amine
PubChem CID126971971
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(oxan-2-yl)pyrimidin-5-amine
SMILESNc1cnc(C2CCCCO2)nc1
InChIInChI=1S/C9H13N3O/c10-7-5-11-9(12-6-7)8-3-1-2-4-13-8/h5-6,8H,1-4,10H2
InChIKeyRROZYWUHXKWYJM-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)pyrimidin-5-amine?
The IUPAC name of 2-(oxan-2-yl)pyrimidin-5-amine (CID 126971971) is 2-(oxan-2-yl)pyrimidin-5-amine.
What is the SMILES notation for 2-(oxan-2-yl)pyrimidin-5-amine?
The canonical SMILES for 2-(oxan-2-yl)pyrimidin-5-amine is Nc1cnc(C2CCCCO2)nc1.
What is the InChIKey of 2-(oxan-2-yl)pyrimidin-5-amine?
The InChIKey is RROZYWUHXKWYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-7-5-11-9(12-6-7)8-3-1-2-4-13-8/h5-6,8H,1-4,10H2.
What are the key properties of 2-(oxan-2-yl)pyrimidin-5-amine?
2-(oxan-2-yl)pyrimidin-5-amine has a molecular weight of 179.22 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)pyrimidin-5-amine is sourced from PubChem (CID 126971971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).