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

C16H22N6O2 — CID 126891328

IUPACN-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(c3nc(C)no3)CC2)ncn1
InChIInChI=1S/C16H22N6O2/c1-11-19-16(24-20-11)21-7-5-13(6-8-21)22(12-3-4-12)14-9-15(23-2)18-10-17-14/h9-10,12-13H,3-8H2,1-2H3
InChIKeyRXFCFGGCJPMVMO-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.81
Rot. Bonds5

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

N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126891328) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126891328
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(c3nc(C)no3)CC2)ncn1
InChIInChI=1S/C16H22N6O2/c1-11-19-16(24-20-11)21-7-5-13(6-8-21)22(12-3-4-12)14-9-15(23-2)18-10-17-14/h9-10,12-13H,3-8H2,1-2H3
InChIKeyRXFCFGGCJPMVMO-UHFFFAOYSA-N
XLogP1.81
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171326942
N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126890717
N-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
CID 126891315
N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171999040
N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 126851874
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891211
N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 171705072
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891163
N-cyclopropyl-6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126891260
N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126891176
N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891335
N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171995144

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine (CID 126891328) is N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine is COc1cc(N(C2CC2)C2CCN(c3nc(C)no3)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is RXFCFGGCJPMVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11-19-16(24-20-11)21-7-5-13(6-8-21)22(12-3-4-12)14-9-15(23-2)18-10-17-14/h9-10,12-13H,3-8H2,1-2H3.
What are the key properties of N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine?
N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 330.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126891328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).