2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]amino]acetic acid

C15H17ClN4O2 — CID 13413754

IUPAC2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]amino]acetic acid
SMILESCc1cccc(N(C)c2cc(Cl)nc(NCC(=O)O)n2)c1C
InChIInChI=1S/C15H17ClN4O2/c1-9-5-4-6-11(10(9)2)20(3)13-7-12(16)18-15(19-13)17-8-14(21)22/h4-7H,8H2,1-3H3,(H,21,22)(H,17,18,19)
InChIKeyGBTHVURYRIXHFN-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.01
Rot. Bonds5

About 2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]amino]acetic acid

2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]amino]acetic acid (PubChem CID 13413754) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]amino]acetic acid
PubChem CID13413754
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]amino]acetic acid
SMILESCc1cccc(N(C)c2cc(Cl)nc(NCC(=O)O)n2)c1C
InChIInChI=1S/C15H17ClN4O2/c1-9-5-4-6-11(10(9)2)20(3)13-7-12(16)18-15(19-13)17-8-14(21)22/h4-7H,8H2,1-3H3,(H,21,22)(H,17,18,19)
InChIKeyGBTHVURYRIXHFN-UHFFFAOYSA-N
XLogP3.01
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]amino]acetic acid with MolForge

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Related Compounds

Pirinixic Acid
CID 5694
2-((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)-N-(2-hydroxyethyl)acetamide
CID 68851
Aronixil
CID 170355
Lodinixil
CID 3045378
2-(4-Chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)propanoic acid
CID 11978565
2-(4-Chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)-2-methylpropanoic acid
CID 11978570
2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]sulfanylacetic acid
CID 13413729
3-[4-Chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]oxypropanoic acid
CID 155514089
2-[4-chloro-6-(2,3-dimethyl-N-propan-2-ylanilino)pyrimidin-2-yl]sulfanylacetic acid
CID 155530735
3-[4-Chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylpropanoic acid
CID 155556924
{[4-Chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]oxy}acetic acid
CID 13413752
2-[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]oxyacetic acid
CID 13413753

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]amino]acetic acid (CID 13413754) is 2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]amino]acetic acid is Cc1cccc(N(C)c2cc(Cl)nc(NCC(=O)O)n2)c1C.
What is the InChIKey of 2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]amino]acetic acid?
The InChIKey is GBTHVURYRIXHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-9-5-4-6-11(10(9)2)20(3)13-7-12(16)18-15(19-13)17-8-14(21)22/h4-7H,8H2,1-3H3,(H,21,22)(H,17,18,19).
What are the key properties of 2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]amino]acetic acid?
2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]amino]acetic acid has a molecular weight of 320.78 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(N,2,3-trimethylanilino)pyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 13413754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).