2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H25N5O3 — CID 56881449

IUPAC2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1nc(N)nc(C)c1CC(=O)N1CC2(CCNCC2)CC1C(=O)O
InChIInChI=1S/C17H25N5O3/c1-10-12(11(2)21-16(18)20-10)7-14(23)22-9-17(3-5-19-6-4-17)8-13(22)15(24)25/h13,19H,3-9H2,1-2H3,(H,24,25)(H2,18,20,21)
InChIKeyYZCCAKKCRRCZNC-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.27
Rot. Bonds3

About 2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56881449) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56881449
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1nc(N)nc(C)c1CC(=O)N1CC2(CCNCC2)CC1C(=O)O
InChIInChI=1S/C17H25N5O3/c1-10-12(11(2)21-16(18)20-10)7-14(23)22-9-17(3-5-19-6-4-17)8-13(22)15(24)25/h13,19H,3-9H2,1-2H3,(H,24,25)(H2,18,20,21)
InChIKeyYZCCAKKCRRCZNC-UHFFFAOYSA-N
XLogP0.27
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56881449) is 2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1nc(N)nc(C)c1CC(=O)N1CC2(CCNCC2)CC1C(=O)O.
What is the InChIKey of 2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is YZCCAKKCRRCZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-10-12(11(2)21-16(18)20-10)7-14(23)22-9-17(3-5-19-6-4-17)8-13(22)15(24)25/h13,19H,3-9H2,1-2H3,(H,24,25)(H2,18,20,21).
What are the key properties of 2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56881449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).