4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid

C14H21N3O3 — CID 56864292

IUPAC4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCCCc1cnc(C)nc1N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C14H21N3O3/c1-3-4-11-9-15-10(2)16-12(11)17-7-5-14(20,6-8-17)13(18)19/h9,20H,3-8H2,1-2H3,(H,18,19)
InChIKeyGUQGIYAZGQRKGI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.15
Rot. Bonds4

About 4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid

4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 56864292) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID56864292
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCCCc1cnc(C)nc1N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C14H21N3O3/c1-3-4-11-9-15-10(2)16-12(11)17-7-5-14(20,6-8-17)13(18)19/h9,20H,3-8H2,1-2H3,(H,18,19)
InChIKeyGUQGIYAZGQRKGI-UHFFFAOYSA-N
XLogP1.15
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165419600
7-(2-methyl-5-propylpyrimidin-4-yl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175642032
(3S,4S)-4-cyclopropyl-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 70761393
(3R,4S)-3-benzyl-4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 164698806
[4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-5-yl]methanol
CID 114215021
[6-(dimethylamino)-3-pyridinyl]-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 138386158
(5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 95210934
[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-methylthiophen-2-yl)methanone
CID 138383444
(2,5-dimethylpyrazol-3-yl)-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 138387793
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol
CID 50977781
(3R)-N-cyclopropyl-1-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553973
3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine
CID 83889648

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid (CID 56864292) is 4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid is CCCc1cnc(C)nc1N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is GUQGIYAZGQRKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-4-11-9-15-10(2)16-12(11)17-7-5-14(20,6-8-17)13(18)19/h9,20H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid?
4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56864292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).