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

C18H25N5O3 — CID 56890052

IUPAC8-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cc(N2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)nc(N)n1
InChIInChI=1S/C18H25N5O3/c1-11-8-14(21-17(19)20-11)22-6-4-18(5-7-22)9-13(16(25)26)23(10-18)15(24)12-2-3-12/h8,12-13H,2-7,9-10H2,1H3,(H,25,26)(H2,19,20,21)
InChIKeyVJVIZTOTQDWGLR-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.05
Rot. Bonds3

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

8-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56890052) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 8-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56890052
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name8-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cc(N2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)nc(N)n1
InChIInChI=1S/C18H25N5O3/c1-11-8-14(21-17(19)20-11)22-6-4-18(5-7-22)9-13(16(25)26)23(10-18)15(24)12-2-3-12/h8,12-13H,2-7,9-10H2,1H3,(H,25,26)(H2,19,20,21)
InChIKeyVJVIZTOTQDWGLR-UHFFFAOYSA-N
XLogP1.05
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.05
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-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56890052) is 8-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1cc(N2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)nc(N)n1.
What is the InChIKey of 8-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is VJVIZTOTQDWGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-11-8-14(21-17(19)20-11)22-6-4-18(5-7-22)9-13(16(25)26)23(10-18)15(24)12-2-3-12/h8,12-13H,2-7,9-10H2,1H3,(H,25,26)(H2,19,20,21).
What are the key properties of 8-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 1.05, 3 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-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56890052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).