(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

C15H19N5O — CID 86291762

IUPAC(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2ccncn12
InChIInChI=1S/C15H19N5O/c1-15(2,14-18-5-9-3-4-16-8-20(9)14)19-13(21)12-10-6-17-7-11(10)12/h3-5,8,10-12,17H,6-7H2,1-2H3,(H,19,21)/t10-,11+,12?
InChIKeySXZNVCLKSUNORP-FOSCPWQOSA-N
MW285.35 g/mol
LogP0.55
Rot. Bonds3

About (1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86291762) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86291762
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2ccncn12
InChIInChI=1S/C15H19N5O/c1-15(2,14-18-5-9-3-4-16-8-20(9)14)19-13(21)12-10-6-17-7-11(10)12/h3-5,8,10-12,17H,6-7H2,1-2H3,(H,19,21)/t10-,11+,12?
InChIKeySXZNVCLKSUNORP-FOSCPWQOSA-N
XLogP0.55
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86291762) is (1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2ccncn12.
What is the InChIKey of (1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is SXZNVCLKSUNORP-FOSCPWQOSA-N. The full InChI is InChI=1S/C15H19N5O/c1-15(2,14-18-5-9-3-4-16-8-20(9)14)19-13(21)12-10-6-17-7-11(10)12/h3-5,8,10-12,17H,6-7H2,1-2H3,(H,19,21)/t10-,11+,12?.
What are the key properties of (1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-(2-imidazo[1,5-c]pyrimidin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86291762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).