8-(2-amino-6-methylpyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C15H23N5O2 — CID 56902560

IUPAC8-(2-amino-6-methylpyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cc(N2CCC3(CC2)CC(C(=O)O)N(C)C3)nc(N)n1
InChIInChI=1S/C15H23N5O2/c1-10-7-12(18-14(16)17-10)20-5-3-15(4-6-20)8-11(13(21)22)19(2)9-15/h7,11H,3-6,8-9H2,1-2H3,(H,21,22)(H2,16,17,18)
InChIKeyOZNVSGPXJNALBQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.74
Rot. Bonds2

About 8-(2-amino-6-methylpyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(2-amino-6-methylpyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56902560) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 8-(2-amino-6-methylpyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(2-amino-6-methylpyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56902560
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name8-(2-amino-6-methylpyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cc(N2CCC3(CC2)CC(C(=O)O)N(C)C3)nc(N)n1
InChIInChI=1S/C15H23N5O2/c1-10-7-12(18-14(16)17-10)20-5-3-15(4-6-20)8-11(13(21)22)19(2)9-15/h7,11H,3-6,8-9H2,1-2H3,(H,21,22)(H2,16,17,18)
InChIKeyOZNVSGPXJNALBQ-UHFFFAOYSA-N
XLogP0.74
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-6-methylpyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(2-amino-6-methylpyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56902560) is 8-(2-amino-6-methylpyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(2-amino-6-methylpyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(2-amino-6-methylpyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1cc(N2CCC3(CC2)CC(C(=O)O)N(C)C3)nc(N)n1.
What is the InChIKey of 8-(2-amino-6-methylpyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is OZNVSGPXJNALBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10-7-12(18-14(16)17-10)20-5-3-15(4-6-20)8-11(13(21)22)19(2)9-15/h7,11H,3-6,8-9H2,1-2H3,(H,21,22)(H2,16,17,18).
What are the key properties of 8-(2-amino-6-methylpyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(2-amino-6-methylpyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-6-methylpyrimidin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56902560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).