(6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol

C17H28N4O — CID 95867432

IUPAC(6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol
SMILESCc1cc(N[C@H](C)CCCC(C)(C)O)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H28N4O/c1-11(8-7-9-17(5,6)22)18-15-10-12(2)19-16-13(3)14(4)20-21(15)16/h10-11,18,22H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyGLXCLWBOQCKNIQ-LLVKDONJSA-N
MW304.44 g/mol
LogP3.40
Rot. Bonds6

About (6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol

(6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol (PubChem CID 95867432) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol.

Molecular Properties

Compound Name(6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol
PubChem CID95867432
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol
SMILESCc1cc(N[C@H](C)CCCC(C)(C)O)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H28N4O/c1-11(8-7-9-17(5,6)22)18-15-10-12(2)19-16-13(3)14(4)20-21(15)16/h10-11,18,22H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyGLXCLWBOQCKNIQ-LLVKDONJSA-N
XLogP3.40
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol?
The IUPAC name of (6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol (CID 95867432) is (6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol.
What is the SMILES notation for (6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol?
The canonical SMILES for (6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol is Cc1cc(N[C@H](C)CCCC(C)(C)O)n2nc(C)c(C)c2n1.
What is the InChIKey of (6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol?
The InChIKey is GLXCLWBOQCKNIQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H28N4O/c1-11(8-7-9-17(5,6)22)18-15-10-12(2)19-16-13(3)14(4)20-21(15)16/h10-11,18,22H,7-9H2,1-6H3/t11-/m1/s1.
What are the key properties of (6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol?
(6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol has a molecular weight of 304.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-methyl-6-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]heptan-2-ol is sourced from PubChem (CID 95867432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).