cyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine

C10H11N5O — CID 62696512

IUPACcyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNC(c1nc(-c2ncccn2)no1)C1CC1
InChIInChI=1S/C10H11N5O/c11-7(6-2-3-6)10-14-9(15-16-10)8-12-4-1-5-13-8/h1,4-7H,2-3,11H2
InChIKeyCHJFGYRTCKGXGU-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.94
Rot. Bonds3

About cyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine

cyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 62696512) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is cyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID62696512
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Namecyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNC(c1nc(-c2ncccn2)no1)C1CC1
InChIInChI=1S/C10H11N5O/c11-7(6-2-3-6)10-14-9(15-16-10)8-12-4-1-5-13-8/h1,4-7H,2-3,11H2
InChIKeyCHJFGYRTCKGXGU-UHFFFAOYSA-N
XLogP0.94
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of cyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine (CID 62696512) is cyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for cyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for cyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine is NC(c1nc(-c2ncccn2)no1)C1CC1.
What is the InChIKey of cyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is CHJFGYRTCKGXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-7(6-2-3-6)10-14-9(15-16-10)8-12-4-1-5-13-8/h1,4-7H,2-3,11H2.
What are the key properties of cyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
cyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 217.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 62696512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).