1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol

C14H20N6O2 — CID 50973546

IUPAC1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCc1nnc(CN(C)c2nccc(N3CCC(O)C3)n2)o1
InChIInChI=1S/C14H20N6O2/c1-3-12-17-18-13(22-12)9-19(2)14-15-6-4-11(16-14)20-7-5-10(21)8-20/h4,6,10,21H,3,5,7-9H2,1-2H3
InChIKeyKEPKKTHNIIMXQS-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.63
Rot. Bonds5

About 1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 50973546) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID50973546
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCc1nnc(CN(C)c2nccc(N3CCC(O)C3)n2)o1
InChIInChI=1S/C14H20N6O2/c1-3-12-17-18-13(22-12)9-19(2)14-15-6-4-11(16-14)20-7-5-10(21)8-20/h4,6,10,21H,3,5,7-9H2,1-2H3
InChIKeyKEPKKTHNIIMXQS-UHFFFAOYSA-N
XLogP0.63
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol (CID 50973546) is 1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol is CCc1nnc(CN(C)c2nccc(N3CCC(O)C3)n2)o1.
What is the InChIKey of 1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is KEPKKTHNIIMXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-3-12-17-18-13(22-12)9-19(2)14-15-6-4-11(16-14)20-7-5-10(21)8-20/h4,6,10,21H,3,5,7-9H2,1-2H3.
What are the key properties of 1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 304.35 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 50973546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).