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4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine

C18H20N6O — CID 117089303

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2nc(Nc3cnccn3)ncc2C)cc1
InChIInChI=1S/C18H20N6O/c1-13-11-22-18(23-16-12-19-9-10-20-16)24-17(13)21-8-7-14-3-5-15(25-2)6-4-14/h3-6,9-12H,7-8H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyAWTJMVXDJDITPX-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.98
Rot. Bonds7

About 4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine

4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine (PubChem CID 117089303) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine
PubChem CID117089303
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine
SMILESCOc1ccc(CCNc2nc(Nc3cnccn3)ncc2C)cc1
InChIInChI=1S/C18H20N6O/c1-13-11-22-18(23-16-12-19-9-10-20-16)24-17(13)21-8-7-14-3-5-15(25-2)6-4-14/h3-6,9-12H,7-8H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyAWTJMVXDJDITPX-UHFFFAOYSA-N
XLogP2.98
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine (CID 117089303) is 4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine is COc1ccc(CCNc2nc(Nc3cnccn3)ncc2C)cc1.
What is the InChIKey of 4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine?
The InChIKey is AWTJMVXDJDITPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13-11-22-18(23-16-12-19-9-10-20-16)24-17(13)21-8-7-14-3-5-15(25-2)6-4-14/h3-6,9-12H,7-8H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine?
4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine has a molecular weight of 336.40 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 117089303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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