N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide

C10H9N5O2 — CID 169248580

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1ccncn1
InChIInChI=1S/C10H9N5O2/c16-8(7-3-4-11-5-12-7)13-10-15-14-9(17-10)6-1-2-6/h3-6H,1-2H2,(H,13,15,16)
InChIKeyRIGLCRSFFCTSTQ-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.99
Rot. Bonds3

About N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide (PubChem CID 169248580) has the molecular formula C10H9N5O2 and a molecular weight of 231.21 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide
PubChem CID169248580
Molecular FormulaC10H9N5O2
Molecular Weight231.21 g/mol
Exact Mass231.08
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1ccncn1
InChIInChI=1S/C10H9N5O2/c16-8(7-3-4-11-5-12-7)13-10-15-14-9(17-10)6-1-2-6/h3-6H,1-2H2,(H,13,15,16)
InChIKeyRIGLCRSFFCTSTQ-UHFFFAOYSA-N
XLogP0.99
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide (CID 169248580) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide is O=C(Nc1nnc(C2CC2)o1)c1ccncn1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide?
The InChIKey is RIGLCRSFFCTSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c16-8(7-3-4-11-5-12-7)13-10-15-14-9(17-10)6-1-2-6/h3-6H,1-2H2,(H,13,15,16).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide has a molecular weight of 231.21 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 169248580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).