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

C18H26N6O3 — CID 126888165

IUPAC6-methoxy-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3nnc(C4CCOCC4)o3)CC2)ncn1
InChIInChI=1S/C18H26N6O3/c1-25-16-10-15(19-12-20-16)21-14-2-6-24(7-3-14)11-17-22-23-18(27-17)13-4-8-26-9-5-13/h10,12-14H,2-9,11H2,1H3,(H,19,20,21)
InChIKeyAQXAHRMEKWWJMO-UHFFFAOYSA-N
MW374.45 g/mol
LogP1.84
Rot. Bonds6

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

6-methoxy-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126888165) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-methoxy-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126888165
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name6-methoxy-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3nnc(C4CCOCC4)o3)CC2)ncn1
InChIInChI=1S/C18H26N6O3/c1-25-16-10-15(19-12-20-16)21-14-2-6-24(7-3-14)11-17-22-23-18(27-17)13-4-8-26-9-5-13/h10,12-14H,2-9,11H2,1H3,(H,19,20,21)
InChIKeyAQXAHRMEKWWJMO-UHFFFAOYSA-N
XLogP1.84
TPSA98.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126888165) is 6-methoxy-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is COc1cc(NC2CCN(Cc3nnc(C4CCOCC4)o3)CC2)ncn1.
What is the InChIKey of 6-methoxy-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is AQXAHRMEKWWJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-25-16-10-15(19-12-20-16)21-14-2-6-24(7-3-14)11-17-22-23-18(27-17)13-4-8-26-9-5-13/h10,12-14H,2-9,11H2,1H3,(H,19,20,21).
What are the key properties of 6-methoxy-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
6-methoxy-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 374.45 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126888165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).