2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid

C18H23N5O3 — CID 71564572

IUPAC2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
SMILESCOCc1cc(N2CCN(CC(=O)O)CC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H23N5O3/c1-26-13-15-11-16(23-9-7-22(8-10-23)12-17(24)25)21-18(20-15)19-14-5-3-2-4-6-14/h2-6,11H,7-10,12-13H2,1H3,(H,24,25)(H,19,20,21)
InChIKeyYFSSLVIZDPLIMQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.57
Rot. Bonds7

About 2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid

2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid (PubChem CID 71564572) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
PubChem CID71564572
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
SMILESCOCc1cc(N2CCN(CC(=O)O)CC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H23N5O3/c1-26-13-15-11-16(23-9-7-22(8-10-23)12-17(24)25)21-18(20-15)19-14-5-3-2-4-6-14/h2-6,11H,7-10,12-13H2,1H3,(H,24,25)(H,19,20,21)
InChIKeyYFSSLVIZDPLIMQ-UHFFFAOYSA-N
XLogP1.57
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid (CID 71564572) is 2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid is COCc1cc(N2CCN(CC(=O)O)CC2)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid?
The InChIKey is YFSSLVIZDPLIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-26-13-15-11-16(23-9-7-22(8-10-23)12-17(24)25)21-18(20-15)19-14-5-3-2-4-6-14/h2-6,11H,7-10,12-13H2,1H3,(H,24,25)(H,19,20,21).
What are the key properties of 2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid?
2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid has a molecular weight of 357.41 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-anilino-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 71564572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).