trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol

C16H24N4O — CID 56885324

IUPACtrans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
SMILESCc1cc2nc(C(C)C)cc(N[C@H]3CCCC[C@@H]3O)n2n1
InChIInChI=1S/C16H24N4O/c1-10(2)13-9-16(17-12-6-4-5-7-14(12)21)20-15(18-13)8-11(3)19-20/h8-10,12,14,17,21H,4-7H2,1-3H3/t12-,14-/m0/s1
InChIKeyBEJNVKKITTYKSD-JSGCOSHPSA-N
MW288.39 g/mol
LogP2.88
Rot. Bonds3

About trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol (PubChem CID 56885324) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
PubChem CID56885324
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Nametrans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
SMILESCc1cc2nc(C(C)C)cc(N[C@H]3CCCC[C@@H]3O)n2n1
InChIInChI=1S/C16H24N4O/c1-10(2)13-9-16(17-12-6-4-5-7-14(12)21)20-15(18-13)8-11(3)19-20/h8-10,12,14,17,21H,4-7H2,1-3H3/t12-,14-/m0/s1
InChIKeyBEJNVKKITTYKSD-JSGCOSHPSA-N
XLogP2.88
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol (CID 56885324) is trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol is Cc1cc2nc(C(C)C)cc(N[C@H]3CCCC[C@@H]3O)n2n1.
What is the InChIKey of trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol?
The InChIKey is BEJNVKKITTYKSD-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H24N4O/c1-10(2)13-9-16(17-12-6-4-5-7-14(12)21)20-15(18-13)8-11(3)19-20/h8-10,12,14,17,21H,4-7H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 56885324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).