6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid

C15H21N3O2 — CID 167781320

IUPAC6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCC(C)c1nccc(N2CCC3(CC2)CC3C(=O)O)n1
InChIInChI=1S/C15H21N3O2/c1-10(2)13-16-6-3-12(17-13)18-7-4-15(5-8-18)9-11(15)14(19)20/h3,6,10-11H,4-5,7-9H2,1-2H3,(H,19,20)
InChIKeyRHMOEZQHTOGXGO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.29
Rot. Bonds3

About 6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 167781320) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID167781320
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCC(C)c1nccc(N2CCC3(CC2)CC3C(=O)O)n1
InChIInChI=1S/C15H21N3O2/c1-10(2)13-16-6-3-12(17-13)18-7-4-15(5-8-18)9-11(15)14(19)20/h3,6,10-11H,4-5,7-9H2,1-2H3,(H,19,20)
InChIKeyRHMOEZQHTOGXGO-UHFFFAOYSA-N
XLogP2.29
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052448
2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 136519236
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 97212136
N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 155974234
3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133291332
2,2-dimethyl-N-[5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 163356599
4-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 136581186
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
6-[2-(3,4-dichlorophenyl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175536
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine
CID 136512880
3-(2-hydroxyethyl)-7-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898859
4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 136524880

Frequently Asked Questions

What is the IUPAC name of 6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 167781320) is 6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid is CC(C)c1nccc(N2CCC3(CC2)CC3C(=O)O)n1.
What is the InChIKey of 6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is RHMOEZQHTOGXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)13-16-6-3-12(17-13)18-7-4-15(5-8-18)9-11(15)14(19)20/h3,6,10-11H,4-5,7-9H2,1-2H3,(H,19,20).
What are the key properties of 6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 167781320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).