5-[[3-ethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine

C23H28N4O5 — CID 10365962

IUPAC5-[[3-ethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
SMILESCCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H28N4O5/c1-5-31-18-9-14(8-16-12-26-23(25)27-22(16)24)6-7-17(18)32-13-15-10-19(28-2)21(30-4)20(11-15)29-3/h6-7,9-12H,5,8,13H2,1-4H3,(H4,24,25,26,27)
InChIKeyUZYFAUNKCDIOLM-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.24
Rot. Bonds10

About 5-[[3-ethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine

5-[[3-ethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 10365962) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 5-[[3-ethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[3-ethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID10365962
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name5-[[3-ethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
SMILESCCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H28N4O5/c1-5-31-18-9-14(8-16-12-26-23(25)27-22(16)24)6-7-17(18)32-13-15-10-19(28-2)21(30-4)20(11-15)29-3/h6-7,9-12H,5,8,13H2,1-4H3,(H4,24,25,26,27)
InChIKeyUZYFAUNKCDIOLM-UHFFFAOYSA-N
XLogP3.24
TPSA123.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[3-ethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine 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 5-[[3-ethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[3-ethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine (CID 10365962) is 5-[[3-ethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[3-ethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[3-ethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine is CCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 5-[[3-ethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is UZYFAUNKCDIOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-5-31-18-9-14(8-16-12-26-23(25)27-22(16)24)6-7-17(18)32-13-15-10-19(28-2)21(30-4)20(11-15)29-3/h6-7,9-12H,5,8,13H2,1-4H3,(H4,24,25,26,27).
What are the key properties of 5-[[3-ethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine?
5-[[3-ethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 440.50 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-ethoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10365962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).