5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-1,4-dihydropyrimidin-6-amine

C22H31N7O5S — CID 11627547

IUPAC5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-1,4-dihydropyrimidin-6-amine
SMILESCOC1=C(Nc2ccc(S(C)(=O)=O)nc2C)NC=NC1OC1CCN(c2nc(C(C)C)no2)CC1
InChIInChI=1S/C22H31N7O5S/c1-13(2)19-27-22(34-28-19)29-10-8-15(9-11-29)33-21-18(32-4)20(23-12-24-21)26-16-6-7-17(25-14(16)3)35(5,30)31/h6-7,12-13,15,21,26H,8-11H2,1-5H3,(H,23,24)
InChIKeySULOGSKKFUNJDH-UHFFFAOYSA-N
MW505.60 g/mol
LogP2.17
Rot. Bonds8

About 5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-1,4-dihydropyrimidin-6-amine

5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-1,4-dihydropyrimidin-6-amine (PubChem CID 11627547) has the molecular formula C22H31N7O5S and a molecular weight of 505.60 g/mol. Its IUPAC name is 5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-1,4-dihydropyrimidin-6-amine.

Molecular Properties

Compound Name5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-1,4-dihydropyrimidin-6-amine
PubChem CID11627547
Molecular FormulaC22H31N7O5S
Molecular Weight505.60 g/mol
Exact Mass505.21
IUPAC Name5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-1,4-dihydropyrimidin-6-amine
SMILESCOC1=C(Nc2ccc(S(C)(=O)=O)nc2C)NC=NC1OC1CCN(c2nc(C(C)C)no2)CC1
InChIInChI=1S/C22H31N7O5S/c1-13(2)19-27-22(34-28-19)29-10-8-15(9-11-29)33-21-18(32-4)20(23-12-24-21)26-16-6-7-17(25-14(16)3)35(5,30)31/h6-7,12-13,15,21,26H,8-11H2,1-5H3,(H,23,24)
InChIKeySULOGSKKFUNJDH-UHFFFAOYSA-N
XLogP2.17
TPSA144.07 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.60
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-1,4-dihydropyrimidin-6-amine?
The IUPAC name of 5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-1,4-dihydropyrimidin-6-amine (CID 11627547) is 5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-1,4-dihydropyrimidin-6-amine.
What is the SMILES notation for 5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-1,4-dihydropyrimidin-6-amine?
The canonical SMILES for 5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-1,4-dihydropyrimidin-6-amine is COC1=C(Nc2ccc(S(C)(=O)=O)nc2C)NC=NC1OC1CCN(c2nc(C(C)C)no2)CC1.
What is the InChIKey of 5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-1,4-dihydropyrimidin-6-amine?
The InChIKey is SULOGSKKFUNJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O5S/c1-13(2)19-27-22(34-28-19)29-10-8-15(9-11-29)33-21-18(32-4)20(23-12-24-21)26-16-6-7-17(25-14(16)3)35(5,30)31/h6-7,12-13,15,21,26H,8-11H2,1-5H3,(H,23,24).
What are the key properties of 5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-1,4-dihydropyrimidin-6-amine?
5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-1,4-dihydropyrimidin-6-amine has a molecular weight of 505.60 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-1,4-dihydropyrimidin-6-amine is sourced from PubChem (CID 11627547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).