1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid

C17H21N5O3 — CID 19148218

IUPAC1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCOc1ccccc1Nc1ncnc(N2CCC(C(=O)O)CC2)c1N
InChIInChI=1S/C17H21N5O3/c1-25-13-5-3-2-4-12(13)21-15-14(18)16(20-10-19-15)22-8-6-11(7-9-22)17(23)24/h2-5,10-11H,6-9,18H2,1H3,(H,23,24)(H,19,20,21)
InChIKeyFMOGMRJOGUVHDU-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.11
Rot. Bonds5

About 1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid

1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 19148218) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID19148218
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCOc1ccccc1Nc1ncnc(N2CCC(C(=O)O)CC2)c1N
InChIInChI=1S/C17H21N5O3/c1-25-13-5-3-2-4-12(13)21-15-14(18)16(20-10-19-15)22-8-6-11(7-9-22)17(23)24/h2-5,10-11H,6-9,18H2,1H3,(H,23,24)(H,19,20,21)
InChIKeyFMOGMRJOGUVHDU-UHFFFAOYSA-N
XLogP2.11
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137683
1-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19144981
methyl 2-[[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19140292
methyl 1-[5-amino-6-(2,2-diphenylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19146669
1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19149383
ethyl 1-[5-amino-6-(2-ethoxycarbonylanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142183
1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19154022
1-[6-(3-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylic acid
CID 22547552
1-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19142653
methyl 1-[5-amino-6-(4-fluoroanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19149063
1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19138144
6-(2,3-dihydroindol-1-yl)-4-N-(2-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543245

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid (CID 19148218) is 1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid is COc1ccccc1Nc1ncnc(N2CCC(C(=O)O)CC2)c1N.
What is the InChIKey of 1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is FMOGMRJOGUVHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-25-13-5-3-2-4-12(13)21-15-14(18)16(20-10-19-15)22-8-6-11(7-9-22)17(23)24/h2-5,10-11H,6-9,18H2,1H3,(H,23,24)(H,19,20,21).
What are the key properties of 1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 343.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 19148218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).