4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid

C11H15N3O2 — CID 16653120

IUPAC4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
SMILESCc1nc(N2CCCCC2)ncc1C(=O)O
InChIInChI=1S/C11H15N3O2/c1-8-9(10(15)16)7-12-11(13-8)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,15,16)
InChIKeyZSUDXFSROAJWIJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.47
Rot. Bonds2

About 4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid

4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid (PubChem CID 16653120) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
PubChem CID16653120
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
SMILESCc1nc(N2CCCCC2)ncc1C(=O)O
InChIInChI=1S/C11H15N3O2/c1-8-9(10(15)16)7-12-11(13-8)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,15,16)
InChIKeyZSUDXFSROAJWIJ-UHFFFAOYSA-N
XLogP1.47
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(4-methylazepan-1-yl)pyrimidine-5-carboxylic acid
CID 83181691
4-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 83852678
4-methyl-2-(4-propylpiperazin-1-yl)pyrimidine-5-carboxylic acid
CID 83181655
4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
CID 83181005
2-(3,4-dimethoxypyrrolidin-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 103534362
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 83181663
azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959621
N-(4-hydroxyphenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504155
2-(2-ethylazepan-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 104690134
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 72862751
5-bromo-4-methyl-2-piperidin-1-ylpyrimidine
CID 82373594
(3S,4S)-4-cyclopropyl-1-(4-methyl-2-piperidin-1-ylpyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 72869164

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid (CID 16653120) is 4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid is Cc1nc(N2CCCCC2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid?
The InChIKey is ZSUDXFSROAJWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-9(10(15)16)7-12-11(13-8)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,15,16).
What are the key properties of 4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid?
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 16653120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).