1,1-dimethyl-3-[[6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]methyl]urea

C16H25N5O — CID 118739191

IUPAC1,1-dimethyl-3-[[6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]methyl]urea
SMILESCc1cnc(N2CCC3(CC2)CC3CNC(=O)N(C)C)nc1
InChIInChI=1S/C16H25N5O/c1-12-9-17-14(18-10-12)21-6-4-16(5-7-21)8-13(16)11-19-15(22)20(2)3/h9-10,13H,4-8,11H2,1-3H3,(H,19,22)
InChIKeyJHYCZVCNWGBCSM-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.66
Rot. Bonds3

About 1,1-dimethyl-3-[[6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]methyl]urea

1,1-dimethyl-3-[[6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]methyl]urea (PubChem CID 118739191) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1,1-dimethyl-3-[[6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]methyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[[6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]methyl]urea
PubChem CID118739191
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1,1-dimethyl-3-[[6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]methyl]urea
SMILESCc1cnc(N2CCC3(CC2)CC3CNC(=O)N(C)C)nc1
InChIInChI=1S/C16H25N5O/c1-12-9-17-14(18-10-12)21-6-4-16(5-7-21)8-13(16)11-19-15(22)20(2)3/h9-10,13H,4-8,11H2,1-3H3,(H,19,22)
InChIKeyJHYCZVCNWGBCSM-UHFFFAOYSA-N
XLogP1.66
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[[6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]methyl]urea?
The IUPAC name of 1,1-dimethyl-3-[[6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]methyl]urea (CID 118739191) is 1,1-dimethyl-3-[[6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]methyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[[6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]methyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[[6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]methyl]urea is Cc1cnc(N2CCC3(CC2)CC3CNC(=O)N(C)C)nc1.
What is the InChIKey of 1,1-dimethyl-3-[[6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]methyl]urea?
The InChIKey is JHYCZVCNWGBCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-12-9-17-14(18-10-12)21-6-4-16(5-7-21)8-13(16)11-19-15(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-[[6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]methyl]urea?
1,1-dimethyl-3-[[6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]methyl]urea has a molecular weight of 303.41 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[[6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]methyl]urea is sourced from PubChem (CID 118739191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).