6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

C13H18N6O2 — CID 126888157

IUPAC6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3cnon3)CC2)ncn1
InChIInChI=1S/C13H18N6O2/c1-20-13-6-12(14-9-15-13)17-10-2-4-19(5-3-10)8-11-7-16-21-18-11/h6-7,9-10H,2-5,8H2,1H3,(H,14,15,17)
InChIKeySVQJIKKIYYYZRT-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.94
Rot. Bonds5

About 6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126888157) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126888157
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3cnon3)CC2)ncn1
InChIInChI=1S/C13H18N6O2/c1-20-13-6-12(14-9-15-13)17-10-2-4-19(5-3-10)8-11-7-16-21-18-11/h6-7,9-10H,2-5,8H2,1H3,(H,14,15,17)
InChIKeySVQJIKKIYYYZRT-UHFFFAOYSA-N
XLogP0.94
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (CID 126888157) is 6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is COc1cc(NC2CCN(Cc3cnon3)CC2)ncn1.
What is the InChIKey of 6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is SVQJIKKIYYYZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-20-13-6-12(14-9-15-13)17-10-2-4-19(5-3-10)8-11-7-16-21-18-11/h6-7,9-10H,2-5,8H2,1H3,(H,14,15,17).
What are the key properties of 6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 290.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126888157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).