(2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone

C16H22N4O — CID 131644225

IUPAC(2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone
SMILESCC1CC1C(=O)N1CCC2(CC(Nc3ncccn3)C2)C1
InChIInChI=1S/C16H22N4O/c1-11-7-13(11)14(21)20-6-3-16(10-20)8-12(9-16)19-15-17-4-2-5-18-15/h2,4-5,11-13H,3,6-10H2,1H3,(H,17,18,19)
InChIKeyDGKKNZUWNYMJQH-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.93
Rot. Bonds3

About (2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone

(2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone (PubChem CID 131644225) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone.

Molecular Properties

Compound Name(2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone
PubChem CID131644225
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone
SMILESCC1CC1C(=O)N1CCC2(CC(Nc3ncccn3)C2)C1
InChIInChI=1S/C16H22N4O/c1-11-7-13(11)14(21)20-6-3-16(10-20)8-12(9-16)19-15-17-4-2-5-18-15/h2,4-5,11-13H,3,6-10H2,1H3,(H,17,18,19)
InChIKeyDGKKNZUWNYMJQH-UHFFFAOYSA-N
XLogP1.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone?
The IUPAC name of (2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone (CID 131644225) is (2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone.
What is the SMILES notation for (2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone?
The canonical SMILES for (2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone is CC1CC1C(=O)N1CCC2(CC(Nc3ncccn3)C2)C1.
What is the InChIKey of (2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone?
The InChIKey is DGKKNZUWNYMJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-7-13(11)14(21)20-6-3-16(10-20)8-12(9-16)19-15-17-4-2-5-18-15/h2,4-5,11-13H,3,6-10H2,1H3,(H,17,18,19).
What are the key properties of (2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone?
(2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone has a molecular weight of 286.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-[2-(pyrimidin-2-ylamino)-6-azaspiro[3.4]octan-6-yl]methanone is sourced from PubChem (CID 131644225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).