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

C14H20N6O2 — CID 95596178

IUPAC4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESCOc1ccnc(N[C@H]2CCCN(Cc3noc(C)n3)C2)n1
InChIInChI=1S/C14H20N6O2/c1-10-16-12(19-22-10)9-20-7-3-4-11(8-20)17-14-15-6-5-13(18-14)21-2/h5-6,11H,3-4,7-9H2,1-2H3,(H,15,17,18)/t11-/m0/s1
InChIKeyXLBMMIQVHIAHMA-NSHDSACASA-N
MW304.35 g/mol
LogP1.25
Rot. Bonds5

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

4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine (PubChem CID 95596178) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
PubChem CID95596178
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESCOc1ccnc(N[C@H]2CCCN(Cc3noc(C)n3)C2)n1
InChIInChI=1S/C14H20N6O2/c1-10-16-12(19-22-10)9-20-7-3-4-11(8-20)17-14-15-6-5-13(18-14)21-2/h5-6,11H,3-4,7-9H2,1-2H3,(H,15,17,18)/t11-/m0/s1
InChIKeyXLBMMIQVHIAHMA-NSHDSACASA-N
XLogP1.25
TPSA89.20 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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine (CID 95596178) is 4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine is COc1ccnc(N[C@H]2CCCN(Cc3noc(C)n3)C2)n1.
What is the InChIKey of 4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is XLBMMIQVHIAHMA-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N6O2/c1-10-16-12(19-22-10)9-20-7-3-4-11(8-20)17-14-15-6-5-13(18-14)21-2/h5-6,11H,3-4,7-9H2,1-2H3,(H,15,17,18)/t11-/m0/s1.
What are the key properties of 4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine?
4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 304.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 95596178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).