9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one

C13H18N4O — CID 97370786

IUPAC9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CCCC2(CCN(c3ncccn3)CC2)N1
InChIInChI=1S/C13H18N4O/c18-11-3-1-4-13(16-11)5-9-17(10-6-13)12-14-7-2-8-15-12/h2,7-8H,1,3-6,9-10H2,(H,16,18)
InChIKeyBWNFULFZULXOBC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.12
Rot. Bonds1

About 9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one

9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 97370786) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID97370786
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CCCC2(CCN(c3ncccn3)CC2)N1
InChIInChI=1S/C13H18N4O/c18-11-3-1-4-13(16-11)5-9-17(10-6-13)12-14-7-2-8-15-12/h2,7-8H,1,3-6,9-10H2,(H,16,18)
InChIKeyBWNFULFZULXOBC-UHFFFAOYSA-N
XLogP1.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one
CID 85471817
9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97450518
(3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469612
2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione
CID 155790127
(4R)-4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469985
4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131640509
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
(3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469532
9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97370792
1-pyrimidin-2-yl-1,3-diazinane-2,4-dione
CID 70200878
4-(1-methylpyrazol-4-yl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131650251
2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 175822956

Frequently Asked Questions

What is the IUPAC name of 9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one (CID 97370786) is 9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one is O=C1CCCC2(CCN(c3ncccn3)CC2)N1.
What is the InChIKey of 9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is BWNFULFZULXOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-11-3-1-4-13(16-11)5-9-17(10-6-13)12-14-7-2-8-15-12/h2,7-8H,1,3-6,9-10H2,(H,16,18).
What are the key properties of 9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one?
9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97370786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).