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

C14H21N5O2 — CID 56887185

IUPAC8-(4-aminopyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CC2(CCN(c3nccc(N)n3)CC2)CC1C(=O)O
InChIInChI=1S/C14H21N5O2/c1-18-9-14(8-10(18)12(20)21)3-6-19(7-4-14)13-16-5-2-11(15)17-13/h2,5,10H,3-4,6-9H2,1H3,(H,20,21)(H2,15,16,17)
InChIKeyJUCKPOLSGBXKJF-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.43
Rot. Bonds2

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

8-(4-aminopyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56887185) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 8-(4-aminopyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(4-aminopyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56887185
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name8-(4-aminopyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CC2(CCN(c3nccc(N)n3)CC2)CC1C(=O)O
InChIInChI=1S/C14H21N5O2/c1-18-9-14(8-10(18)12(20)21)3-6-19(7-4-14)13-16-5-2-11(15)17-13/h2,5,10H,3-4,6-9H2,1H3,(H,20,21)(H2,15,16,17)
InChIKeyJUCKPOLSGBXKJF-UHFFFAOYSA-N
XLogP0.43
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-aminopyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(4-aminopyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56887185) is 8-(4-aminopyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(4-aminopyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(4-aminopyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CN1CC2(CCN(c3nccc(N)n3)CC2)CC1C(=O)O.
What is the InChIKey of 8-(4-aminopyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is JUCKPOLSGBXKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-18-9-14(8-10(18)12(20)21)3-6-19(7-4-14)13-16-5-2-11(15)17-13/h2,5,10H,3-4,6-9H2,1H3,(H,20,21)(H2,15,16,17).
What are the key properties of 8-(4-aminopyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(4-aminopyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminopyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56887185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).