2-N,4-N-bis(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine

C21H24N4O2 — CID 1068699

IUPAC2-N,4-N-bis(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2cc(C)nc(Nc3ccc(OCC)cc3)n2)cc1
InChIInChI=1S/C21H24N4O2/c1-4-26-18-10-6-16(7-11-18)23-20-14-15(3)22-21(25-20)24-17-8-12-19(13-9-17)27-5-2/h6-14H,4-5H2,1-3H3,(H2,22,23,24,25)
InChIKeyAHXVZANUOFQACU-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.07
Rot. Bonds8

About 2-N,4-N-bis(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine

2-N,4-N-bis(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 1068699) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-N,4-N-bis(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID1068699
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-N,4-N-bis(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2cc(C)nc(Nc3ccc(OCC)cc3)n2)cc1
InChIInChI=1S/C21H24N4O2/c1-4-26-18-10-6-16(7-11-18)23-20-14-15(3)22-21(25-20)24-17-8-12-19(13-9-17)27-5-2/h6-14H,4-5H2,1-3H3,(H2,22,23,24,25)
InChIKeyAHXVZANUOFQACU-UHFFFAOYSA-N
XLogP5.07
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 1068699) is 2-N,4-N-bis(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine is CCOc1ccc(Nc2cc(C)nc(Nc3ccc(OCC)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is AHXVZANUOFQACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-26-18-10-6-16(7-11-18)23-20-14-15(3)22-21(25-20)24-17-8-12-19(13-9-17)27-5-2/h6-14H,4-5H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 2-N,4-N-bis(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine?
2-N,4-N-bis(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 364.45 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 1068699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).