N-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine

C11H13N5OS — CID 113388685

IUPACN-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nnc(Sc2ncc(CNC3CC3)cn2)o1
InChIInChI=1S/C11H13N5OS/c1-7-15-16-11(17-7)18-10-13-5-8(6-14-10)4-12-9-2-3-9/h5-6,9,12H,2-4H2,1H3
InChIKeySVQZWUFWHXWLDD-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.57
Rot. Bonds5

About N-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 113388685) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is N-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID113388685
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC NameN-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nnc(Sc2ncc(CNC3CC3)cn2)o1
InChIInChI=1S/C11H13N5OS/c1-7-15-16-11(17-7)18-10-13-5-8(6-14-10)4-12-9-2-3-9/h5-6,9,12H,2-4H2,1H3
InChIKeySVQZWUFWHXWLDD-UHFFFAOYSA-N
XLogP1.57
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine (CID 113388685) is N-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine is Cc1nnc(Sc2ncc(CNC3CC3)cn2)o1.
What is the InChIKey of N-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is SVQZWUFWHXWLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-7-15-16-11(17-7)18-10-13-5-8(6-14-10)4-12-9-2-3-9/h5-6,9,12H,2-4H2,1H3.
What are the key properties of N-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 263.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 113388685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).