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

C26H34N4O5 — CID 11202498

IUPAC6-ethyl-5-[[3-propoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
SMILESCCCOc1cc(Cc2c(N)nc(N)nc2CC)ccc1OCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C26H34N4O5/c1-6-10-34-21-12-16(11-18-19(7-2)29-26(28)30-25(18)27)8-9-20(21)35-15-17-13-22(31-3)24(33-5)23(14-17)32-4/h8-9,12-14H,6-7,10-11,15H2,1-5H3,(H4,27,28,29,30)
InChIKeyAASOHLRCOMFYBT-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.19
Rot. Bonds12

About 6-ethyl-5-[[3-propoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine

6-ethyl-5-[[3-propoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 11202498) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is 6-ethyl-5-[[3-propoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-[[3-propoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID11202498
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Name6-ethyl-5-[[3-propoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
SMILESCCCOc1cc(Cc2c(N)nc(N)nc2CC)ccc1OCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C26H34N4O5/c1-6-10-34-21-12-16(11-18-19(7-2)29-26(28)30-25(18)27)8-9-20(21)35-15-17-13-22(31-3)24(33-5)23(14-17)32-4/h8-9,12-14H,6-7,10-11,15H2,1-5H3,(H4,27,28,29,30)
InChIKeyAASOHLRCOMFYBT-UHFFFAOYSA-N
XLogP4.19
TPSA123.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[[3-propoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-[[3-propoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine (CID 11202498) is 6-ethyl-5-[[3-propoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-[[3-propoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-[[3-propoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine is CCCOc1cc(Cc2c(N)nc(N)nc2CC)ccc1OCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 6-ethyl-5-[[3-propoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is AASOHLRCOMFYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-6-10-34-21-12-16(11-18-19(7-2)29-26(28)30-25(18)27)8-9-20(21)35-15-17-13-22(31-3)24(33-5)23(14-17)32-4/h8-9,12-14H,6-7,10-11,15H2,1-5H3,(H4,27,28,29,30).
What are the key properties of 6-ethyl-5-[[3-propoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine?
6-ethyl-5-[[3-propoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 482.58 g/mol, XLogP of 4.19, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[[3-propoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 11202498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).