2-(cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one

C16H22N4O — CID 97370274

IUPAC2-(cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(CC2CC2)CCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C16H22N4O/c21-14-16(6-11-20(14)12-13-2-3-13)4-9-19(10-5-16)15-17-7-1-8-18-15/h1,7-8,13H,2-6,9-12H2
InChIKeyYANYRYOUCBNBAR-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.71
Rot. Bonds3

About 2-(cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one

2-(cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97370274) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97370274
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(CC2CC2)CCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C16H22N4O/c21-14-16(6-11-20(14)12-13-2-3-13)4-9-19(10-5-16)15-17-7-1-8-18-15/h1,7-8,13H,2-6,9-12H2
InChIKeyYANYRYOUCBNBAR-UHFFFAOYSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one (CID 97370274) is 2-(cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one is O=C1N(CC2CC2)CCC12CCN(c1ncccn1)CC2.
What is the InChIKey of 2-(cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is YANYRYOUCBNBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c21-14-16(6-11-20(14)12-13-2-3-13)4-9-19(10-5-16)15-17-7-1-8-18-15/h1,7-8,13H,2-6,9-12H2.
What are the key properties of 2-(cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
2-(cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 286.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97370274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).