2-(3-hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

C20H32N4O2 — CID 70733151

IUPAC2-(3-hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1nc(C)cc(N2CCC3(CCC(=O)N(CCCO)C3)CC2)n1
InChIInChI=1S/C20H32N4O2/c1-3-5-17-21-16(2)14-18(22-17)23-11-8-20(9-12-23)7-6-19(26)24(15-20)10-4-13-25/h14,25H,3-13,15H2,1-2H3
InChIKeyKVKBAUJASXHXFO-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.33
Rot. Bonds6

About 2-(3-hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

2-(3-hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70733151) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70733151
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-(3-hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1nc(C)cc(N2CCC3(CCC(=O)N(CCCO)C3)CC2)n1
InChIInChI=1S/C20H32N4O2/c1-3-5-17-21-16(2)14-18(22-17)23-11-8-20(9-12-23)7-6-19(26)24(15-20)10-4-13-25/h14,25H,3-13,15H2,1-2H3
InChIKeyKVKBAUJASXHXFO-UHFFFAOYSA-N
XLogP2.33
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70733151) is 2-(3-hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is CCCc1nc(C)cc(N2CCC3(CCC(=O)N(CCCO)C3)CC2)n1.
What is the InChIKey of 2-(3-hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KVKBAUJASXHXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-3-5-17-21-16(2)14-18(22-17)23-11-8-20(9-12-23)7-6-19(26)24(15-20)10-4-13-25/h14,25H,3-13,15H2,1-2H3.
What are the key properties of 2-(3-hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(3-hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 360.50 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70733151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).