[2-(oxolan-2-yl)pyrimidin-5-yl]methanamine

C9H13N3O — CID 65328893

IUPAC[2-(oxolan-2-yl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(C2CCCO2)nc1
InChIInChI=1S/C9H13N3O/c10-4-7-5-11-9(12-6-7)8-2-1-3-13-8/h5-6,8H,1-4,10H2
InChIKeyVNLMUVNMHHYEME-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.79
Rot. Bonds2

About [2-(oxolan-2-yl)pyrimidin-5-yl]methanamine

[2-(oxolan-2-yl)pyrimidin-5-yl]methanamine (PubChem CID 65328893) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is [2-(oxolan-2-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(oxolan-2-yl)pyrimidin-5-yl]methanamine
PubChem CID65328893
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name[2-(oxolan-2-yl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(C2CCCO2)nc1
InChIInChI=1S/C9H13N3O/c10-4-7-5-11-9(12-6-7)8-2-1-3-13-8/h5-6,8H,1-4,10H2
InChIKeyVNLMUVNMHHYEME-UHFFFAOYSA-N
XLogP0.79
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-2-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(oxolan-2-yl)pyrimidin-5-yl]methanamine (CID 65328893) is [2-(oxolan-2-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(oxolan-2-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(oxolan-2-yl)pyrimidin-5-yl]methanamine is NCc1cnc(C2CCCO2)nc1.
What is the InChIKey of [2-(oxolan-2-yl)pyrimidin-5-yl]methanamine?
The InChIKey is VNLMUVNMHHYEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-4-7-5-11-9(12-6-7)8-2-1-3-13-8/h5-6,8H,1-4,10H2.
What are the key properties of [2-(oxolan-2-yl)pyrimidin-5-yl]methanamine?
[2-(oxolan-2-yl)pyrimidin-5-yl]methanamine has a molecular weight of 179.22 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-2-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 65328893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).