8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C14H19N5O3 — CID 72860015

IUPAC8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cc(N2CCC3(CC2)NC(=O)CC3C(=O)O)nc(N)n1
InChIInChI=1S/C14H19N5O3/c1-8-6-10(17-13(15)16-8)19-4-2-14(3-5-19)9(12(21)22)7-11(20)18-14/h6,9H,2-5,7H2,1H3,(H,18,20)(H,21,22)(H2,15,16,17)
InChIKeyVHIALAUFTRBTPY-UHFFFAOYSA-N
MW305.34 g/mol
LogP-0.07
Rot. Bonds2

About 8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72860015) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72860015
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cc(N2CCC3(CC2)NC(=O)CC3C(=O)O)nc(N)n1
InChIInChI=1S/C14H19N5O3/c1-8-6-10(17-13(15)16-8)19-4-2-14(3-5-19)9(12(21)22)7-11(20)18-14/h6,9H,2-5,7H2,1H3,(H,18,20)(H,21,22)(H2,15,16,17)
InChIKeyVHIALAUFTRBTPY-UHFFFAOYSA-N
XLogP-0.07
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
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-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72860015) is 8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1cc(N2CCC3(CC2)NC(=O)CC3C(=O)O)nc(N)n1.
What is the InChIKey of 8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is VHIALAUFTRBTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-8-6-10(17-13(15)16-8)19-4-2-14(3-5-19)9(12(21)22)7-11(20)18-14/h6,9H,2-5,7H2,1H3,(H,18,20)(H,21,22)(H2,15,16,17).
What are the key properties of 8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 305.34 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 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-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72860015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).