[1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine

C13H20N4O — CID 103279197

IUPAC[1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1nccc(C2CCOC2)n1
InChIInChI=1S/C13H20N4O/c14-8-11-2-1-6-17(11)13-15-5-3-12(16-13)10-4-7-18-9-10/h3,5,10-11H,1-2,4,6-9,14H2
InChIKeyILDBAHBYBAQSPY-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.91
Rot. Bonds3

About [1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine

[1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine (PubChem CID 103279197) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
PubChem CID103279197
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1nccc(C2CCOC2)n1
InChIInChI=1S/C13H20N4O/c14-8-11-2-1-6-17(11)13-15-5-3-12(16-13)10-4-7-18-9-10/h3,5,10-11H,1-2,4,6-9,14H2
InChIKeyILDBAHBYBAQSPY-UHFFFAOYSA-N
XLogP0.91
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine (CID 103279197) is [1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine is NCC1CCCN1c1nccc(C2CCOC2)n1.
What is the InChIKey of [1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
The InChIKey is ILDBAHBYBAQSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-8-11-2-1-6-17(11)13-15-5-3-12(16-13)10-4-7-18-9-10/h3,5,10-11H,1-2,4,6-9,14H2.
What are the key properties of [1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine?
[1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine has a molecular weight of 248.33 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 103279197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).