2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

C19H23F3N6O2 — CID 91631441

IUPAC2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCc1nc(N2CCC(NC(=O)Cn3cnc(C)c(C)c3=O)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H23F3N6O2/c1-11-12(2)23-10-28(18(11)30)9-17(29)26-14-4-6-27(7-5-14)16-8-15(19(20,21)22)24-13(3)25-16/h8,10,14H,4-7,9H2,1-3H3,(H,26,29)
InChIKeyUVXQAHXLABQXBB-UHFFFAOYSA-N
MW424.43 g/mol
LogP1.76
Rot. Bonds4

About 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 91631441) has the molecular formula C19H23F3N6O2 and a molecular weight of 424.43 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID91631441
Molecular FormulaC19H23F3N6O2
Molecular Weight424.43 g/mol
Exact Mass424.18
IUPAC Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCc1nc(N2CCC(NC(=O)Cn3cnc(C)c(C)c3=O)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H23F3N6O2/c1-11-12(2)23-10-28(18(11)30)9-17(29)26-14-4-6-27(7-5-14)16-8-15(19(20,21)22)24-13(3)25-16/h8,10,14H,4-7,9H2,1-3H3,(H,26,29)
InChIKeyUVXQAHXLABQXBB-UHFFFAOYSA-N
XLogP1.76
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 91631441) is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is Cc1nc(N2CCC(NC(=O)Cn3cnc(C)c(C)c3=O)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is UVXQAHXLABQXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O2/c1-11-12(2)23-10-28(18(11)30)9-17(29)26-14-4-6-27(7-5-14)16-8-15(19(20,21)22)24-13(3)25-16/h8,10,14H,4-7,9H2,1-3H3,(H,26,29).
What are the key properties of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 424.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 91631441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).