5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid

C15H22N4O2 — CID 79929639

IUPAC5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(N2CCN3CCCC3C2)c(C(=O)O)n1
InChIInChI=1S/C15H22N4O2/c1-10(2)14-16-8-12(13(17-14)15(20)21)19-7-6-18-5-3-4-11(18)9-19/h8,10-11H,3-7,9H2,1-2H3,(H,20,21)
InChIKeyUKUIUSQDYPDVGO-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.58
Rot. Bonds3

About 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid

5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 79929639) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID79929639
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(N2CCN3CCCC3C2)c(C(=O)O)n1
InChIInChI=1S/C15H22N4O2/c1-10(2)14-16-8-12(13(17-14)15(20)21)19-7-6-18-5-3-4-11(18)9-19/h8,10-11H,3-7,9H2,1-2H3,(H,20,21)
InChIKeyUKUIUSQDYPDVGO-UHFFFAOYSA-N
XLogP1.58
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

5-(4-cyclopropylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086332
5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087226
5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 79180616
5-[3-(dimethylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63539546
5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63620885
5-(3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 114410079
2-propan-2-yl-5-(4-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 62204554
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95728129
2-propan-2-yl-5-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid
CID 62088306
5-(4-cyclohexylpiperazin-1-yl)-2-propan-2-ylpyrimidine;propan-2-ol
CID 166459574
(1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol
CID 83131405
2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 83044088

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 79929639) is 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(N2CCN3CCCC3C2)c(C(=O)O)n1.
What is the InChIKey of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is UKUIUSQDYPDVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)14-16-8-12(13(17-14)15(20)21)19-7-6-18-5-3-4-11(18)9-19/h8,10-11H,3-7,9H2,1-2H3,(H,20,21).
What are the key properties of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 79929639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).