2-(2-methylpyrimidin-4-yl)oxan-4-amine

C10H15N3O — CID 115529253

IUPAC2-(2-methylpyrimidin-4-yl)oxan-4-amine
SMILESCc1nccc(C2CC(N)CCO2)n1
InChIInChI=1S/C10H15N3O/c1-7-12-4-2-9(13-7)10-6-8(11)3-5-14-10/h2,4,8,10H,3,5-6,11H2,1H3
InChIKeyXDWZQNNVPKUQJB-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.96
Rot. Bonds1

About 2-(2-methylpyrimidin-4-yl)oxan-4-amine

2-(2-methylpyrimidin-4-yl)oxan-4-amine (PubChem CID 115529253) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(2-methylpyrimidin-4-yl)oxan-4-amine.

Molecular Properties

Compound Name2-(2-methylpyrimidin-4-yl)oxan-4-amine
PubChem CID115529253
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(2-methylpyrimidin-4-yl)oxan-4-amine
SMILESCc1nccc(C2CC(N)CCO2)n1
InChIInChI=1S/C10H15N3O/c1-7-12-4-2-9(13-7)10-6-8(11)3-5-14-10/h2,4,8,10H,3,5-6,11H2,1H3
InChIKeyXDWZQNNVPKUQJB-UHFFFAOYSA-N
XLogP0.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrimidin-4-yl)oxan-4-amine?
The IUPAC name of 2-(2-methylpyrimidin-4-yl)oxan-4-amine (CID 115529253) is 2-(2-methylpyrimidin-4-yl)oxan-4-amine.
What is the SMILES notation for 2-(2-methylpyrimidin-4-yl)oxan-4-amine?
The canonical SMILES for 2-(2-methylpyrimidin-4-yl)oxan-4-amine is Cc1nccc(C2CC(N)CCO2)n1.
What is the InChIKey of 2-(2-methylpyrimidin-4-yl)oxan-4-amine?
The InChIKey is XDWZQNNVPKUQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-12-4-2-9(13-7)10-6-8(11)3-5-14-10/h2,4,8,10H,3,5-6,11H2,1H3.
What are the key properties of 2-(2-methylpyrimidin-4-yl)oxan-4-amine?
2-(2-methylpyrimidin-4-yl)oxan-4-amine has a molecular weight of 193.25 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrimidin-4-yl)oxan-4-amine is sourced from PubChem (CID 115529253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).