5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methylpyrimidine-2,4-diamine

C26H26N4O2 — CID 11026315

IUPAC5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C26H26N4O2/c1-18-22(25(27)30-26(28)29-18)14-21-12-13-23(31-16-19-8-4-2-5-9-19)24(15-21)32-17-20-10-6-3-7-11-20/h2-13,15H,14,16-17H2,1H3,(H4,27,28,29,30)
InChIKeyGKTPXBIOBMWSEO-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.70
Rot. Bonds8

About 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methylpyrimidine-2,4-diamine

5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 11026315) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID11026315
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C26H26N4O2/c1-18-22(25(27)30-26(28)29-18)14-21-12-13-23(31-16-19-8-4-2-5-9-19)24(15-21)32-17-20-10-6-3-7-11-20/h2-13,15H,14,16-17H2,1H3,(H4,27,28,29,30)
InChIKeyGKTPXBIOBMWSEO-UHFFFAOYSA-N
XLogP4.70
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methylpyrimidine-2,4-diamine (CID 11026315) is 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is GKTPXBIOBMWSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-18-22(25(27)30-26(28)29-18)14-21-12-13-23(31-16-19-8-4-2-5-9-19)24(15-21)32-17-20-10-6-3-7-11-20/h2-13,15H,14,16-17H2,1H3,(H4,27,28,29,30).
What are the key properties of 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methylpyrimidine-2,4-diamine?
5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 426.52 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 11026315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).