1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid

C19H24N4O2 — CID 113193605

IUPAC1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCc1ccc(Nc2cc(N3CCC(C(=O)O)CC3)nc(C)n2)c(C)c1
InChIInChI=1S/C19H24N4O2/c1-12-4-5-16(13(2)10-12)22-17-11-18(21-14(3)20-17)23-8-6-15(7-9-23)19(24)25/h4-5,10-11,15H,6-9H2,1-3H3,(H,24,25)(H,20,21,22)
InChIKeyNZBHJUNXZFDEEE-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.45
Rot. Bonds4

About 1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid

1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 113193605) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID113193605
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCc1ccc(Nc2cc(N3CCC(C(=O)O)CC3)nc(C)n2)c(C)c1
InChIInChI=1S/C19H24N4O2/c1-12-4-5-16(13(2)10-12)22-17-11-18(21-14(3)20-17)23-8-6-15(7-9-23)19(24)25/h4-5,10-11,15H,6-9H2,1-3H3,(H,24,25)(H,20,21,22)
InChIKeyNZBHJUNXZFDEEE-UHFFFAOYSA-N
XLogP3.45
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193637
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
1-[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193628
1-[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 99975814
N-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 112874788
N-(2,4-dimethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364166
2-[[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113194821
2-[[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194892
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine
CID 112876827
(3R)-1-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975862
N-(2-methoxy-5-methylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869263

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid (CID 113193605) is 1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid is Cc1ccc(Nc2cc(N3CCC(C(=O)O)CC3)nc(C)n2)c(C)c1.
What is the InChIKey of 1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is NZBHJUNXZFDEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-4-5-16(13(2)10-12)22-17-11-18(21-14(3)20-17)23-8-6-15(7-9-23)19(24)25/h4-5,10-11,15H,6-9H2,1-3H3,(H,24,25)(H,20,21,22).
What are the key properties of 1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 340.43 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 113193605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).