2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(benzenesulfonyl)piperidin-4-yl]propanamide

C20H27N5O4S — CID 91247173

IUPAC2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(benzenesulfonyl)piperidin-4-yl]propanamide
SMILESCc1nc(OC(C)C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)nc(C)c1N
InChIInChI=1S/C20H27N5O4S/c1-13-18(21)14(2)23-20(22-13)29-15(3)19(26)24-16-9-11-25(12-10-16)30(27,28)17-7-5-4-6-8-17/h4-8,15-16H,9-12,21H2,1-3H3,(H,24,26)
InChIKeyMSYLBCISLZCWIF-UHFFFAOYSA-N
MW433.53 g/mol
LogP1.41
Rot. Bonds6

About 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(benzenesulfonyl)piperidin-4-yl]propanamide

2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(benzenesulfonyl)piperidin-4-yl]propanamide (PubChem CID 91247173) has the molecular formula C20H27N5O4S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(benzenesulfonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(benzenesulfonyl)piperidin-4-yl]propanamide
PubChem CID91247173
Molecular FormulaC20H27N5O4S
Molecular Weight433.53 g/mol
Exact Mass433.18
IUPAC Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(benzenesulfonyl)piperidin-4-yl]propanamide
SMILESCc1nc(OC(C)C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)nc(C)c1N
InChIInChI=1S/C20H27N5O4S/c1-13-18(21)14(2)23-20(22-13)29-15(3)19(26)24-16-9-11-25(12-10-16)30(27,28)17-7-5-4-6-8-17/h4-8,15-16H,9-12,21H2,1-3H3,(H,24,26)
InChIKeyMSYLBCISLZCWIF-UHFFFAOYSA-N
XLogP1.41
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(benzenesulfonyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(benzenesulfonyl)piperidin-4-yl]propanamide (CID 91247173) is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(benzenesulfonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(benzenesulfonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(benzenesulfonyl)piperidin-4-yl]propanamide is Cc1nc(OC(C)C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)nc(C)c1N.
What is the InChIKey of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(benzenesulfonyl)piperidin-4-yl]propanamide?
The InChIKey is MSYLBCISLZCWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4S/c1-13-18(21)14(2)23-20(22-13)29-15(3)19(26)24-16-9-11-25(12-10-16)30(27,28)17-7-5-4-6-8-17/h4-8,15-16H,9-12,21H2,1-3H3,(H,24,26).
What are the key properties of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(benzenesulfonyl)piperidin-4-yl]propanamide?
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(benzenesulfonyl)piperidin-4-yl]propanamide has a molecular weight of 433.53 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(benzenesulfonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 91247173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).