2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[methyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol

C19H25F3N6O — CID 90099567

IUPAC2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[methyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
SMILESCc1ncc(C(C)(O)CN(C)c2ccnc(C(F)(F)F)n2)c(C2CCNCC2)n1
InChIInChI=1S/C19H25F3N6O/c1-12-25-10-14(16(26-12)13-4-7-23-8-5-13)18(2,29)11-28(3)15-6-9-24-17(27-15)19(20,21)22/h6,9-10,13,23,29H,4-5,7-8,11H2,1-3H3
InChIKeyXPPRKQUGOJFUNZ-UHFFFAOYSA-N
MW410.44 g/mol
LogP2.40
Rot. Bonds5

About 2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[methyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol

2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[methyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 90099567) has the molecular formula C19H25F3N6O and a molecular weight of 410.44 g/mol. Its IUPAC name is 2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[methyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[methyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID90099567
Molecular FormulaC19H25F3N6O
Molecular Weight410.44 g/mol
Exact Mass410.20
IUPAC Name2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[methyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
SMILESCc1ncc(C(C)(O)CN(C)c2ccnc(C(F)(F)F)n2)c(C2CCNCC2)n1
InChIInChI=1S/C19H25F3N6O/c1-12-25-10-14(16(26-12)13-4-7-23-8-5-13)18(2,29)11-28(3)15-6-9-24-17(27-15)19(20,21)22/h6,9-10,13,23,29H,4-5,7-8,11H2,1-3H3
InChIKeyXPPRKQUGOJFUNZ-UHFFFAOYSA-N
XLogP2.40
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[methyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[methyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol (CID 90099567) is 2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[methyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[methyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[methyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol is Cc1ncc(C(C)(O)CN(C)c2ccnc(C(F)(F)F)n2)c(C2CCNCC2)n1.
What is the InChIKey of 2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[methyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is XPPRKQUGOJFUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N6O/c1-12-25-10-14(16(26-12)13-4-7-23-8-5-13)18(2,29)11-28(3)15-6-9-24-17(27-15)19(20,21)22/h6,9-10,13,23,29H,4-5,7-8,11H2,1-3H3.
What are the key properties of 2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[methyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[methyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 410.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[methyl-[2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 90099567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).