4-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2-(dimethylamino)-1H-pyrimidin-6-one

C15H23N5O2 — CID 138001593

IUPAC4-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCN(C)c1nc(C(=O)N2CCC3(CCNCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C15H23N5O2/c1-19(2)14-17-11(9-12(21)18-14)13(22)20-8-5-15(10-20)3-6-16-7-4-15/h9,16H,3-8,10H2,1-2H3,(H,17,18,21)
InChIKeyJVOFXSJJLFAANW-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.05
Rot. Bonds2

About 4-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2-(dimethylamino)-1H-pyrimidin-6-one

4-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2-(dimethylamino)-1H-pyrimidin-6-one (PubChem CID 138001593) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2-(dimethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2-(dimethylamino)-1H-pyrimidin-6-one
PubChem CID138001593
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name4-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCN(C)c1nc(C(=O)N2CCC3(CCNCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C15H23N5O2/c1-19(2)14-17-11(9-12(21)18-14)13(22)20-8-5-15(10-20)3-6-16-7-4-15/h9,16H,3-8,10H2,1-2H3,(H,17,18,21)
InChIKeyJVOFXSJJLFAANW-UHFFFAOYSA-N
XLogP0.05
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2-(dimethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2-(dimethylamino)-1H-pyrimidin-6-one (CID 138001593) is 4-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2-(dimethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2-(dimethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2-(dimethylamino)-1H-pyrimidin-6-one is CN(C)c1nc(C(=O)N2CCC3(CCNCC3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2-(dimethylamino)-1H-pyrimidin-6-one?
The InChIKey is JVOFXSJJLFAANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-19(2)14-17-11(9-12(21)18-14)13(22)20-8-5-15(10-20)3-6-16-7-4-15/h9,16H,3-8,10H2,1-2H3,(H,17,18,21).
What are the key properties of 4-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2-(dimethylamino)-1H-pyrimidin-6-one?
4-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2-(dimethylamino)-1H-pyrimidin-6-one has a molecular weight of 305.38 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-diazaspiro[4.5]decane-2-carbonyl)-2-(dimethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 138001593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).