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

C18H20N6O — CID 72864679

IUPAC2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
SMILESCc1nc(N)cc(N2CCC(c3nc(-c4ccccc4)no3)CC2)n1
InChIInChI=1S/C18H20N6O/c1-12-20-15(19)11-16(21-12)24-9-7-14(8-10-24)18-22-17(23-25-18)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3,(H2,19,20,21)
InChIKeyRWTUGFCVTJTPRL-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.80
Rot. Bonds3

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

2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 72864679) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID72864679
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
SMILESCc1nc(N)cc(N2CCC(c3nc(-c4ccccc4)no3)CC2)n1
InChIInChI=1S/C18H20N6O/c1-12-20-15(19)11-16(21-12)24-9-7-14(8-10-24)18-22-17(23-25-18)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3,(H2,19,20,21)
InChIKeyRWTUGFCVTJTPRL-UHFFFAOYSA-N
XLogP2.80
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine (CID 72864679) is 2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine is Cc1nc(N)cc(N2CCC(c3nc(-c4ccccc4)no3)CC2)n1.
What is the InChIKey of 2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is RWTUGFCVTJTPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-20-15(19)11-16(21-12)24-9-7-14(8-10-24)18-22-17(23-25-18)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3,(H2,19,20,21).
What are the key properties of 2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine?
2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 336.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 72864679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).