[1-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine

C10H13N5O — CID 83837076

IUPAC[1-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ncnc3oncc23)C1
InChIInChI=1S/C10H13N5O/c11-3-7-1-2-15(5-7)9-8-4-14-16-10(8)13-6-12-9/h4,6-7H,1-3,5,11H2
InChIKeyLBANBPKTDGPETF-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.40
Rot. Bonds2

About [1-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine

[1-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine (PubChem CID 83837076) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is [1-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine
PubChem CID83837076
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name[1-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ncnc3oncc23)C1
InChIInChI=1S/C10H13N5O/c11-3-7-1-2-15(5-7)9-8-4-14-16-10(8)13-6-12-9/h4,6-7H,1-3,5,11H2
InChIKeyLBANBPKTDGPETF-UHFFFAOYSA-N
XLogP0.40
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine (CID 83837076) is [1-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine is NCC1CCN(c2ncnc3oncc23)C1.
What is the InChIKey of [1-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is LBANBPKTDGPETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-3-7-1-2-15(5-7)9-8-4-14-16-10(8)13-6-12-9/h4,6-7H,1-3,5,11H2.
What are the key properties of [1-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
[1-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 219.25 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 83837076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).