4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid

C13H18N4O2 — CID 114214557

IUPAC4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1NC1CCN2CCCC2C1
InChIInChI=1S/C13H18N4O2/c18-13(19)11-7-14-8-15-12(11)16-9-3-5-17-4-1-2-10(17)6-9/h7-10H,1-6H2,(H,18,19)(H,14,15,16)
InChIKeyAVWUYTKGVAEJIS-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.21
Rot. Bonds3

About 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid

4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid (PubChem CID 114214557) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid
PubChem CID114214557
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1NC1CCN2CCCC2C1
InChIInChI=1S/C13H18N4O2/c18-13(19)11-7-14-8-15-12(11)16-9-3-5-17-4-1-2-10(17)6-9/h7-10H,1-6H2,(H,18,19)(H,14,15,16)
InChIKeyAVWUYTKGVAEJIS-UHFFFAOYSA-N
XLogP1.21
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-tricyclo[3.2.1.02,4]octanylamino)pyrimidine-5-carboxylic acid
CID 114214807
4-[(1-cyclohexylpiperidin-4-yl)amino]-N-(1-methyltriazol-4-yl)pyrimidine-5-carboxamide
CID 167866568
4-[(2-methylcyclopropyl)amino]pyrimidine-5-carboxylic acid
CID 130484563
5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile
CID 103468867
N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 75365664
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 142718123
N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78951023
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731945
4-(hydroxyamino)pyrimidine-5-carboxylic acid
CID 127018723
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388522
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one
CID 137015539
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide
CID 113225212

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid (CID 114214557) is 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1NC1CCN2CCCC2C1.
What is the InChIKey of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid?
The InChIKey is AVWUYTKGVAEJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-13(19)11-7-14-8-15-12(11)16-9-3-5-17-4-1-2-10(17)6-9/h7-10H,1-6H2,(H,18,19)(H,14,15,16).
What are the key properties of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid?
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 114214557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).