[(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone

C19H25N5O2 — CID 91834088

IUPAC[(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCCCc1nc(C)cc(N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)n1
InChIInChI=1S/C19H25N5O2/c1-3-6-17-21-13(2)11-18(23-17)22-14-8-10-24(12-16(14)25)19(26)15-7-4-5-9-20-15/h4-5,7,9,11,14,16,25H,3,6,8,10,12H2,1-2H3,(H,21,22,23)/t14-,16-/m1/s1
InChIKeyLMTDOQBPRLEWNC-GDBMZVCRSA-N
MW355.44 g/mol
LogP1.82
Rot. Bonds5

About [(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone

[(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 91834088) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID91834088
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCCCc1nc(C)cc(N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)n1
InChIInChI=1S/C19H25N5O2/c1-3-6-17-21-13(2)11-18(23-17)22-14-8-10-24(12-16(14)25)19(26)15-7-4-5-9-20-15/h4-5,7,9,11,14,16,25H,3,6,8,10,12H2,1-2H3,(H,21,22,23)/t14-,16-/m1/s1
InChIKeyLMTDOQBPRLEWNC-GDBMZVCRSA-N
XLogP1.82
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone (CID 91834088) is [(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone is CCCc1nc(C)cc(N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)n1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is LMTDOQBPRLEWNC-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-6-17-21-13(2)11-18(23-17)22-14-8-10-24(12-16(14)25)19(26)15-7-4-5-9-20-15/h4-5,7,9,11,14,16,25H,3,6,8,10,12H2,1-2H3,(H,21,22,23)/t14-,16-/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone?
[(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 355.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 91834088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).