2-N-[(2-ethoxyphenyl)methyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine

C21H24N4O2 — CID 44528416

IUPAC2-N-[(2-ethoxyphenyl)methyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCOc1ccccc1CNc1nccc(NCc2ccccc2OC)n1
InChIInChI=1S/C21H24N4O2/c1-3-27-19-11-7-5-9-17(19)15-24-21-22-13-12-20(25-21)23-14-16-8-4-6-10-18(16)26-2/h4-13H,3,14-15H2,1-2H3,(H2,22,23,24,25)
InChIKeyYMUPMPZTOWFZTQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.11
Rot. Bonds9

About 2-N-[(2-ethoxyphenyl)methyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine

2-N-[(2-ethoxyphenyl)methyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 44528416) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-N-[(2-ethoxyphenyl)methyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-ethoxyphenyl)methyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID44528416
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-N-[(2-ethoxyphenyl)methyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCOc1ccccc1CNc1nccc(NCc2ccccc2OC)n1
InChIInChI=1S/C21H24N4O2/c1-3-27-19-11-7-5-9-17(19)15-24-21-22-13-12-20(25-21)23-14-16-8-4-6-10-18(16)26-2/h4-13H,3,14-15H2,1-2H3,(H2,22,23,24,25)
InChIKeyYMUPMPZTOWFZTQ-UHFFFAOYSA-N
XLogP4.11
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-ethoxyphenyl)methyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2-ethoxyphenyl)methyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 44528416) is 2-N-[(2-ethoxyphenyl)methyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-ethoxyphenyl)methyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2-ethoxyphenyl)methyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is CCOc1ccccc1CNc1nccc(NCc2ccccc2OC)n1.
What is the InChIKey of 2-N-[(2-ethoxyphenyl)methyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is YMUPMPZTOWFZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-27-19-11-7-5-9-17(19)15-24-21-22-13-12-20(25-21)23-14-16-8-4-6-10-18(16)26-2/h4-13H,3,14-15H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-[(2-ethoxyphenyl)methyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
2-N-[(2-ethoxyphenyl)methyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 364.45 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-ethoxyphenyl)methyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 44528416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).