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

C18H23N5O2 — CID 19138144

IUPAC1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESNc1c(NCCc2ccccc2)ncnc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C18H23N5O2/c19-15-16(20-9-6-13-4-2-1-3-5-13)21-12-22-17(15)23-10-7-14(8-11-23)18(24)25/h1-5,12,14H,6-11,19H2,(H,24,25)(H,20,21,22)
InChIKeyJFRQZSULIGJYGD-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.01
Rot. Bonds6

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

1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 19138144) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID19138144
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESNc1c(NCCc2ccccc2)ncnc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C18H23N5O2/c19-15-16(20-9-6-13-4-2-1-3-5-13)21-12-22-17(15)23-10-7-14(8-11-23)18(24)25/h1-5,12,14H,6-11,19H2,(H,24,25)(H,20,21,22)
InChIKeyJFRQZSULIGJYGD-UHFFFAOYSA-N
XLogP2.01
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-methylpiperidin-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 19137988
1-[5-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 141107722
1-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19142653
1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19138681
methyl 1-[5-amino-6-(hexadecylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142484
1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19148218
6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 22543176
1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 19137230
1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19154022
methyl 1-[5-amino-6-(2,2-diphenylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19146669
4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138132
1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19149383

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid (CID 19138144) is 1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid is Nc1c(NCCc2ccccc2)ncnc1N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is JFRQZSULIGJYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c19-15-16(20-9-6-13-4-2-1-3-5-13)21-12-22-17(15)23-10-7-14(8-11-23)18(24)25/h1-5,12,14H,6-11,19H2,(H,24,25)(H,20,21,22).
What are the key properties of 1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 341.42 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 19138144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).