2-(2-hydroxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C17H24N4O4 — CID 86283595

IUPAC2-(2-hydroxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(O)CN1CC2(CCC1=O)CCN(C(=O)c1cnc[nH]c1=O)CC2
InChIInChI=1S/C17H24N4O4/c1-12(22)9-21-10-17(3-2-14(21)23)4-6-20(7-5-17)16(25)13-8-18-11-19-15(13)24/h8,11-12,22H,2-7,9-10H2,1H3,(H,18,19,24)
InChIKeyJKUGLYTYXOEXCL-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.00
Rot. Bonds3

About 2-(2-hydroxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 86283595) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID86283595
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-(2-hydroxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(O)CN1CC2(CCC1=O)CCN(C(=O)c1cnc[nH]c1=O)CC2
InChIInChI=1S/C17H24N4O4/c1-12(22)9-21-10-17(3-2-14(21)23)4-6-20(7-5-17)16(25)13-8-18-11-19-15(13)24/h8,11-12,22H,2-7,9-10H2,1H3,(H,18,19,24)
InChIKeyJKUGLYTYXOEXCL-UHFFFAOYSA-N
XLogP-0.00
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 86283595) is 2-(2-hydroxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is CC(O)CN1CC2(CCC1=O)CCN(C(=O)c1cnc[nH]c1=O)CC2.
What is the InChIKey of 2-(2-hydroxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JKUGLYTYXOEXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-12(22)9-21-10-17(3-2-14(21)23)4-6-20(7-5-17)16(25)13-8-18-11-19-15(13)24/h8,11-12,22H,2-7,9-10H2,1H3,(H,18,19,24).
What are the key properties of 2-(2-hydroxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 348.40 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-9-(6-oxo-1H-pyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 86283595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).