4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid

C13H19N3O3 — CID 114214262

IUPAC4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(N(CCO)C2CCCC2)n1
InChIInChI=1S/C13H19N3O3/c1-9-14-8-11(13(18)19)12(15-9)16(6-7-17)10-4-2-3-5-10/h8,10,17H,2-7H2,1H3,(H,18,19)
InChIKeyXRVGFJLJUZDTSC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.22
Rot. Bonds5

About 4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid

4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid (PubChem CID 114214262) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid
PubChem CID114214262
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(N(CCO)C2CCCC2)n1
InChIInChI=1S/C13H19N3O3/c1-9-14-8-11(13(18)19)12(15-9)16(6-7-17)10-4-2-3-5-10/h8,10,17H,2-7H2,1H3,(H,18,19)
InChIKeyXRVGFJLJUZDTSC-UHFFFAOYSA-N
XLogP1.22
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 115148774
4-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244159
methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate
CID 114214096
3-[cyclopentyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid
CID 105062667
2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol
CID 65418206
2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810933
2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid
CID 102863255
4-[3,3-dimethylbutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 115148828
2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid
CID 102863145
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875751
5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide
CID 102859460
2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol
CID 102869000

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid (CID 114214262) is 4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(N(CCO)C2CCCC2)n1.
What is the InChIKey of 4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid?
The InChIKey is XRVGFJLJUZDTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-14-8-11(13(18)19)12(15-9)16(6-7-17)10-4-2-3-5-10/h8,10,17H,2-7H2,1H3,(H,18,19).
What are the key properties of 4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid?
4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 114214262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).