2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]acetic acid

C15H15N5O5 — CID 169397522

IUPAC2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]acetic acid
SMILESCOc1cc(-c2nc(N)nc(N)c2C#N)cc(OC)c1OCC(=O)O
InChIInChI=1S/C15H15N5O5/c1-23-9-3-7(4-10(24-2)13(9)25-6-11(21)22)12-8(5-16)14(17)20-15(18)19-12/h3-4H,6H2,1-2H3,(H,21,22)(H4,17,18,19,20)
InChIKeyNMQUEJIUMSJCRR-UHFFFAOYSA-N
MW345.32 g/mol
LogP0.66
Rot. Bonds6

About 2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]acetic acid

2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]acetic acid (PubChem CID 169397522) has the molecular formula C15H15N5O5 and a molecular weight of 345.32 g/mol. Its IUPAC name is 2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]acetic acid
PubChem CID169397522
Molecular FormulaC15H15N5O5
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]acetic acid
SMILESCOc1cc(-c2nc(N)nc(N)c2C#N)cc(OC)c1OCC(=O)O
InChIInChI=1S/C15H15N5O5/c1-23-9-3-7(4-10(24-2)13(9)25-6-11(21)22)12-8(5-16)14(17)20-15(18)19-12/h3-4H,6H2,1-2H3,(H,21,22)(H4,17,18,19,20)
InChIKeyNMQUEJIUMSJCRR-UHFFFAOYSA-N
XLogP0.66
TPSA166.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]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-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2-iodo-6-methoxyphenoxy]acetic acid
CID 169398081
2,4-diamino-6-(3-methoxy-4-phenacyloxyphenyl)pyrimidine-5-carbonitrile
CID 169397653
2,4-diamino-6-(3-fluoro-4,5-dimethoxyphenyl)pyrimidine-5-carbonitrile
CID 169398230
2,4-diamino-6-(4-bromo-3,5-dimethoxyphenyl)pyrimidine-5-carbonitrile
CID 169396166
2,4-diamino-6-(3-bromo-5-methoxy-4-propoxyphenyl)pyrimidine-5-carbonitrile
CID 169397650
methyl 2-[2-bromo-4-(2,6-diamino-5-cyanopyrimidin-4-yl)-6-ethoxyphenoxy]acetate
CID 169398145
2,4-diamino-6-(4-butoxy-3-iodo-5-methoxyphenyl)pyrimidine-5-carbonitrile
CID 169398080
[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2-methoxyphenyl] acetate
CID 169396062
2-[2,6-dichloro-4-(2,6-diamino-5-cyanopyrimidin-4-yl)phenoxy]propanoic acid
CID 169397510
2,4-diamino-6-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]pyrimidine-5-carbonitrile
CID 169398027
2,4-diamino-6-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]pyrimidine-5-carbonitrile
CID 169398026
2,4-diamino-6-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169398576

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]acetic acid?
The IUPAC name of 2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]acetic acid (CID 169397522) is 2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]acetic acid is COc1cc(-c2nc(N)nc(N)c2C#N)cc(OC)c1OCC(=O)O.
What is the InChIKey of 2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]acetic acid?
The InChIKey is NMQUEJIUMSJCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O5/c1-23-9-3-7(4-10(24-2)13(9)25-6-11(21)22)12-8(5-16)14(17)20-15(18)19-12/h3-4H,6H2,1-2H3,(H,21,22)(H4,17,18,19,20).
What are the key properties of 2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]acetic acid?
2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]acetic acid has a molecular weight of 345.32 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]acetic acid is sourced from PubChem (CID 169397522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).