N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine

C11H13N5O — CID 167765215

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCc2nnc(C3CC3)o2)n1
InChIInChI=1S/C11H13N5O/c1-7-12-5-4-9(14-7)13-6-10-15-16-11(17-10)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,12,13,14)
InChIKeyFLNYLQXJYODSFU-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.66
Rot. Bonds4

About N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 167765215) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine
PubChem CID167765215
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCc2nnc(C3CC3)o2)n1
InChIInChI=1S/C11H13N5O/c1-7-12-5-4-9(14-7)13-6-10-15-16-11(17-10)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,12,13,14)
InChIKeyFLNYLQXJYODSFU-UHFFFAOYSA-N
XLogP1.66
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.66
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)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine (CID 167765215) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine is Cc1nccc(NCc2nnc(C3CC3)o2)n1.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is FLNYLQXJYODSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7-12-5-4-9(14-7)13-6-10-15-16-11(17-10)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,12,13,14).
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 231.26 g/mol, XLogP of 1.66, 4 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)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 167765215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).