1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid

C14H23N5O2 — CID 113192683

IUPAC1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCN(C)CCNc1cc(N2CCC(C(=O)O)CC2)ncn1
InChIInChI=1S/C14H23N5O2/c1-18(2)8-5-15-12-9-13(17-10-16-12)19-6-3-11(4-7-19)14(20)21/h9-11H,3-8H2,1-2H3,(H,20,21)(H,15,16,17)
InChIKeyYNFNUIWEOFLXKT-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.75
Rot. Bonds6

About 1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid

1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 113192683) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID113192683
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCN(C)CCNc1cc(N2CCC(C(=O)O)CC2)ncn1
InChIInChI=1S/C14H23N5O2/c1-18(2)8-5-15-12-9-13(17-10-16-12)19-6-3-11(4-7-19)14(20)21/h9-11H,3-8H2,1-2H3,(H,20,21)(H,15,16,17)
InChIKeyYNFNUIWEOFLXKT-UHFFFAOYSA-N
XLogP0.75
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112857435
1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192684
1-[6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192699
1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80799616
N-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112857436
1-[6-(3,4-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192759
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 122327457
1-[6-(2,5-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192758
N,N-dimethyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188576
ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 122281740
N',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 112857771
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 170957533

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid (CID 113192683) is 1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid is CN(C)CCNc1cc(N2CCC(C(=O)O)CC2)ncn1.
What is the InChIKey of 1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is YNFNUIWEOFLXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-18(2)8-5-15-12-9-13(17-10-16-12)19-6-3-11(4-7-19)14(20)21/h9-11H,3-8H2,1-2H3,(H,20,21)(H,15,16,17).
What are the key properties of 1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 113192683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).