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

C13H18N6O2 — CID 126888167

IUPAC6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3nnco3)CC2)ncn1
InChIInChI=1S/C13H18N6O2/c1-20-12-6-11(14-8-15-12)17-10-2-4-19(5-3-10)7-13-18-16-9-21-13/h6,8-10H,2-5,7H2,1H3,(H,14,15,17)
InChIKeyCEXHZAGJRLXJKX-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.94
Rot. Bonds5

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

6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126888167) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126888167
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3nnco3)CC2)ncn1
InChIInChI=1S/C13H18N6O2/c1-20-12-6-11(14-8-15-12)17-10-2-4-19(5-3-10)7-13-18-16-9-21-13/h6,8-10H,2-5,7H2,1H3,(H,14,15,17)
InChIKeyCEXHZAGJRLXJKX-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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Related Compounds

4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888582
N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888174
N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889764
6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888157
6-methoxy-N-[1-[(2-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126888112
N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
CID 165432113
6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888206
N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171998529
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171995465
1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
CID 126888227

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (CID 126888167) is 6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is COc1cc(NC2CCN(Cc3nnco3)CC2)ncn1.
What is the InChIKey of 6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is CEXHZAGJRLXJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-20-12-6-11(14-8-15-12)17-10-2-4-19(5-3-10)7-13-18-16-9-21-13/h6,8-10H,2-5,7H2,1H3,(H,14,15,17).
What are the key properties of 6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
6-methoxy-N-[1-(1,3,4-oxadiazol-2-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-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126888167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).