4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine

C22H26N4O — CID 112937737

IUPAC4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2cc(-c3ccccc3)nc(N(CC)CC)n2)cc1
InChIInChI=1S/C22H26N4O/c1-4-26(5-2)22-24-20(17-10-8-7-9-11-17)16-21(25-22)23-18-12-14-19(15-13-18)27-6-3/h7-16H,4-6H2,1-3H3,(H,23,24,25)
InChIKeyISFYGZPJKQNCIM-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.13
Rot. Bonds8

About 4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine

4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 112937737) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
PubChem CID112937737
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2cc(-c3ccccc3)nc(N(CC)CC)n2)cc1
InChIInChI=1S/C22H26N4O/c1-4-26(5-2)22-24-20(17-10-8-7-9-11-17)16-21(25-22)23-18-12-14-19(15-13-18)27-6-3/h7-16H,4-6H2,1-3H3,(H,23,24,25)
InChIKeyISFYGZPJKQNCIM-UHFFFAOYSA-N
XLogP5.13
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937720
2-N,2-N-diethyl-4-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 62192827
2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 124750208
N,N-diethyl-4-hydrazinyl-6-phenylpyrimidin-2-amine
CID 62251410
2-N,2-N,4-N-triethyl-6-phenylpyrimidine-2,4-diamine
CID 63485028
4-N-(4-ethoxyphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938237
2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937733
2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112938004
2-N-(4-ethoxyphenyl)-4-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112934938
2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112899230
4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902126
2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine
CID 86235846

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine (CID 112937737) is 4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine is CCOc1ccc(Nc2cc(-c3ccccc3)nc(N(CC)CC)n2)cc1.
What is the InChIKey of 4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is ISFYGZPJKQNCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-26(5-2)22-24-20(17-10-8-7-9-11-17)16-21(25-22)23-18-12-14-19(15-13-18)27-6-3/h7-16H,4-6H2,1-3H3,(H,23,24,25).
What are the key properties of 4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine?
4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 362.48 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112937737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).