2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid

C14H13Cl2N3O3 — CID 88922199

IUPAC2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid
SMILESCOc1ccc(CNc2nc(Cl)nc(Cl)c2CC(=O)O)cc1
InChIInChI=1S/C14H13Cl2N3O3/c1-22-9-4-2-8(3-5-9)7-17-13-10(6-11(20)21)12(15)18-14(16)19-13/h2-5H,6-7H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyUEJLKCVJKOOCBV-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.03
Rot. Bonds6

About 2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid

2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid (PubChem CID 88922199) has the molecular formula C14H13Cl2N3O3 and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid
PubChem CID88922199
Molecular FormulaC14H13Cl2N3O3
Molecular Weight342.18 g/mol
Exact Mass341.03
IUPAC Name2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid
SMILESCOc1ccc(CNc2nc(Cl)nc(Cl)c2CC(=O)O)cc1
InChIInChI=1S/C14H13Cl2N3O3/c1-22-9-4-2-8(3-5-9)7-17-13-10(6-11(20)21)12(15)18-14(16)19-13/h2-5H,6-7H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyUEJLKCVJKOOCBV-UHFFFAOYSA-N
XLogP3.03
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-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

Related Compounds

2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine
CID 82459612
3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62710099
2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 9148773
6-chloro-5-(2-chloroethyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 118129224
methyl 2,5-dichloro-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylate
CID 87422205
2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-5-yl]acetic acid
CID 3054245
2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid
CID 58791712
4-amino-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxylic acid
CID 118002770
4-[[2-chloro-6-[(4-methoxyphenyl)methylamino]purin-9-yl]methyl]benzamide
CID 121390711
methyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate
CID 156831006
N-benzyl-2-chloro-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 24777798
2-chloro-6-ethyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066400

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid (CID 88922199) is 2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid is COc1ccc(CNc2nc(Cl)nc(Cl)c2CC(=O)O)cc1.
What is the InChIKey of 2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid?
The InChIKey is UEJLKCVJKOOCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3/c1-22-9-4-2-8(3-5-9)7-17-13-10(6-11(20)21)12(15)18-14(16)19-13/h2-5H,6-7H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid?
2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid has a molecular weight of 342.18 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 88922199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).