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

C20H26N6O2 — CID 19138681

IUPAC1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESNc1c(N2CCC(C(=O)O)CC2)ncnc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N6O2/c21-17-18(25-8-6-15(7-9-25)20(27)28)22-14-23-19(17)26-12-10-24(11-13-26)16-4-2-1-3-5-16/h1-5,14-15H,6-13,21H2,(H,27,28)
InChIKeyKPGAUMPCOCTYNQ-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.69
Rot. Bonds4

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

1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 19138681) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID19138681
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESNc1c(N2CCC(C(=O)O)CC2)ncnc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N6O2/c21-17-18(25-8-6-15(7-9-25)20(27)28)22-14-23-19(17)26-12-10-24(11-13-26)16-4-2-1-3-5-16/h1-5,14-15H,6-13,21H2,(H,27,28)
InChIKeyKPGAUMPCOCTYNQ-UHFFFAOYSA-N
XLogP1.69
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-amino-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19139209
1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 19137230
1-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19147413
1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19154022
1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19138144
1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 22541547
1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19148218
4-[[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 19138679
1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid
CID 22538510
4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138691
1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19149383
1-[6-(3-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylic acid
CID 22547552

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid (CID 19138681) is 1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid is Nc1c(N2CCC(C(=O)O)CC2)ncnc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is KPGAUMPCOCTYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c21-17-18(25-8-6-15(7-9-25)20(27)28)22-14-23-19(17)26-12-10-24(11-13-26)16-4-2-1-3-5-16/h1-5,14-15H,6-13,21H2,(H,27,28).
What are the key properties of 1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 382.47 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 19138681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).