(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone

C17H21N7O — CID 139580388

IUPAC(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone
SMILESCN1CC2(CCN(C(=O)c3cnc(NCc4cnccn4)nc3)C2)C1
InChIInChI=1S/C17H21N7O/c1-23-10-17(11-23)2-5-24(12-17)15(25)13-6-20-16(21-7-13)22-9-14-8-18-3-4-19-14/h3-4,6-8H,2,5,9-12H2,1H3,(H,20,21,22)
InChIKeyYJTUOIRBCOJEQE-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.66
Rot. Bonds4

About (2-methyl-2,6-diazaspiro[3.4]octan-6-yl)-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone

(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone (PubChem CID 139580388) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is (2-methyl-2,6-diazaspiro[3.4]octan-6-yl)-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone
PubChem CID139580388
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone
SMILESCN1CC2(CCN(C(=O)c3cnc(NCc4cnccn4)nc3)C2)C1
InChIInChI=1S/C17H21N7O/c1-23-10-17(11-23)2-5-24(12-17)15(25)13-6-20-16(21-7-13)22-9-14-8-18-3-4-19-14/h3-4,6-8H,2,5,9-12H2,1H3,(H,20,21,22)
InChIKeyYJTUOIRBCOJEQE-UHFFFAOYSA-N
XLogP0.66
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,6-diazaspiro[3.4]octan-6-yl)-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone?
The IUPAC name of (2-methyl-2,6-diazaspiro[3.4]octan-6-yl)-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone (CID 139580388) is (2-methyl-2,6-diazaspiro[3.4]octan-6-yl)-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for (2-methyl-2,6-diazaspiro[3.4]octan-6-yl)-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for (2-methyl-2,6-diazaspiro[3.4]octan-6-yl)-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone is CN1CC2(CCN(C(=O)c3cnc(NCc4cnccn4)nc3)C2)C1.
What is the InChIKey of (2-methyl-2,6-diazaspiro[3.4]octan-6-yl)-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone?
The InChIKey is YJTUOIRBCOJEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-23-10-17(11-23)2-5-24(12-17)15(25)13-6-20-16(21-7-13)22-9-14-8-18-3-4-19-14/h3-4,6-8H,2,5,9-12H2,1H3,(H,20,21,22).
What are the key properties of (2-methyl-2,6-diazaspiro[3.4]octan-6-yl)-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone?
(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,6-diazaspiro[3.4]octan-6-yl)-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 139580388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).