8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H26N4O2 — CID 56899484

IUPAC8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCc1cnc(C)nc1N1CCC2(CC1)CNC(C(=O)O)C2
InChIInChI=1S/C17H26N4O2/c1-3-4-13-10-18-12(2)20-15(13)21-7-5-17(6-8-21)9-14(16(22)23)19-11-17/h10,14,19H,3-9,11H2,1-2H3,(H,22,23)
InChIKeyBDSLAJGZBXIPQU-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.77
Rot. Bonds4

About 8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56899484) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56899484
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCc1cnc(C)nc1N1CCC2(CC1)CNC(C(=O)O)C2
InChIInChI=1S/C17H26N4O2/c1-3-4-13-10-18-12(2)20-15(13)21-7-5-17(6-8-21)9-14(16(22)23)19-11-17/h10,14,19H,3-9,11H2,1-2H3,(H,22,23)
InChIKeyBDSLAJGZBXIPQU-UHFFFAOYSA-N
XLogP1.77
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56899484) is 8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCc1cnc(C)nc1N1CCC2(CC1)CNC(C(=O)O)C2.
What is the InChIKey of 8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is BDSLAJGZBXIPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-4-13-10-18-12(2)20-15(13)21-7-5-17(6-8-21)9-14(16(22)23)19-11-17/h10,14,19H,3-9,11H2,1-2H3,(H,22,23).
What are the key properties of 8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 318.42 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56899484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).