N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine

C16H22N6O2 — CID 126888166

IUPACN-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3nnc(C4CC4)o3)CC2)ncn1
InChIInChI=1S/C16H22N6O2/c1-23-14-8-13(17-10-18-14)19-12-4-6-22(7-5-12)9-15-20-21-16(24-15)11-2-3-11/h8,10-12H,2-7,9H2,1H3,(H,17,18,19)
InChIKeyKUZAMNCUZGXRTF-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.82
Rot. Bonds6

About N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine

N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine (PubChem CID 126888166) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
PubChem CID126888166
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3nnc(C4CC4)o3)CC2)ncn1
InChIInChI=1S/C16H22N6O2/c1-23-14-8-13(17-10-18-14)19-12-4-6-22(7-5-12)9-15-20-21-16(24-15)11-2-3-11/h8,10-12H,2-7,9H2,1H3,(H,17,18,19)
InChIKeyKUZAMNCUZGXRTF-UHFFFAOYSA-N
XLogP1.82
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine (CID 126888166) is N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine is COc1cc(NC2CCN(Cc3nnc(C4CC4)o3)CC2)ncn1.
What is the InChIKey of N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The InChIKey is KUZAMNCUZGXRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-23-14-8-13(17-10-18-14)19-12-4-6-22(7-5-12)9-15-20-21-16(24-15)11-2-3-11/h8,10-12H,2-7,9H2,1H3,(H,17,18,19).
What are the key properties of N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine has a molecular weight of 330.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 126888166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).