1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid

C19H24N4O3 — CID 113193637

IUPAC1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCOc1ccc(C)cc1Nc1cc(N2CCC(C(=O)O)CC2)nc(C)n1
InChIInChI=1S/C19H24N4O3/c1-12-4-5-16(26-3)15(10-12)22-17-11-18(21-13(2)20-17)23-8-6-14(7-9-23)19(24)25/h4-5,10-11,14H,6-9H2,1-3H3,(H,24,25)(H,20,21,22)
InChIKeyLMHHHEWSYTYURB-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.15
Rot. Bonds5

About 1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid

1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 113193637) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID113193637
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCOc1ccc(C)cc1Nc1cc(N2CCC(C(=O)O)CC2)nc(C)n1
InChIInChI=1S/C19H24N4O3/c1-12-4-5-16(26-3)15(10-12)22-17-11-18(21-13(2)20-17)23-8-6-14(7-9-23)19(24)25/h4-5,10-11,14H,6-9H2,1-3H3,(H,24,25)(H,20,21,22)
InChIKeyLMHHHEWSYTYURB-UHFFFAOYSA-N
XLogP3.15
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869263
1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193605
1-[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 99975814
1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193622
1-[6-(2,5-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192758
[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364363
1-[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193628
1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858485
1-[6-(4-chloro-2-methoxy-5-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192836
2-[[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113194821
N-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine
CID 99968578
N-(2-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874750

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid (CID 113193637) is 1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid is COc1ccc(C)cc1Nc1cc(N2CCC(C(=O)O)CC2)nc(C)n1.
What is the InChIKey of 1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is LMHHHEWSYTYURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-4-5-16(26-3)15(10-12)22-17-11-18(21-13(2)20-17)23-8-6-14(7-9-23)19(24)25/h4-5,10-11,14H,6-9H2,1-3H3,(H,24,25)(H,20,21,22).
What are the key properties of 1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 356.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 113193637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).