1,1-dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea

C16H25N5O2 — CID 118739194

IUPAC1,1-dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
SMILESCc1cnc(N2CCC3(CC2)CC(NC(=O)N(C)C)CO3)nc1
InChIInChI=1S/C16H25N5O2/c1-12-9-17-14(18-10-12)21-6-4-16(5-7-21)8-13(11-23-16)19-15(22)20(2)3/h9-10,13H,4-8,11H2,1-3H3,(H,19,22)
InChIKeyFCWTWRQSSAUAGH-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.18
Rot. Bonds2

About 1,1-dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea

1,1-dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea (PubChem CID 118739194) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1,1-dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
PubChem CID118739194
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1,1-dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
SMILESCc1cnc(N2CCC3(CC2)CC(NC(=O)N(C)C)CO3)nc1
InChIInChI=1S/C16H25N5O2/c1-12-9-17-14(18-10-12)21-6-4-16(5-7-21)8-13(11-23-16)19-15(22)20(2)3/h9-10,13H,4-8,11H2,1-3H3,(H,19,22)
InChIKeyFCWTWRQSSAUAGH-UHFFFAOYSA-N
XLogP1.18
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea (CID 118739194) is 1,1-dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea is Cc1cnc(N2CCC3(CC2)CC(NC(=O)N(C)C)CO3)nc1.
What is the InChIKey of 1,1-dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea?
The InChIKey is FCWTWRQSSAUAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-12-9-17-14(18-10-12)21-6-4-16(5-7-21)8-13(11-23-16)19-15(22)20(2)3/h9-10,13H,4-8,11H2,1-3H3,(H,19,22).
What are the key properties of 1,1-dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea?
1,1-dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea has a molecular weight of 319.41 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea is sourced from PubChem (CID 118739194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).