4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine

C22H26N4O — CID 112937674

IUPAC4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(-c2ccccc2)nc(Nc2cc(C)ccc2OC)n1
InChIInChI=1S/C22H26N4O/c1-5-26(6-2)21-15-18(17-10-8-7-9-11-17)23-22(25-21)24-19-14-16(3)12-13-20(19)27-4/h7-15H,5-6H2,1-4H3,(H,23,24,25)
InChIKeyFIGSAGDTUFLXBI-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.05
Rot. Bonds7

About 4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine

4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112937674) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112937674
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(-c2ccccc2)nc(Nc2cc(C)ccc2OC)n1
InChIInChI=1S/C22H26N4O/c1-5-26(6-2)21-15-18(17-10-8-7-9-11-17)23-22(25-21)24-19-14-16(3)12-13-20(19)27-4/h7-15H,5-6H2,1-4H3,(H,23,24,25)
InChIKeyFIGSAGDTUFLXBI-UHFFFAOYSA-N
XLogP5.05
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937667
N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934541
2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937696
4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875694
4-N-benzyl-4-N-ethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112873175
2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937704
methyl 3-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]amino]benzoate
CID 112937685
4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937206
2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112936187
N,N-diethyl-2,6-diphenylpyrimidin-4-amine
CID 2057498
2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937733
2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937029

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine (CID 112937674) is 4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine is CCN(CC)c1cc(-c2ccccc2)nc(Nc2cc(C)ccc2OC)n1.
What is the InChIKey of 4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is FIGSAGDTUFLXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-5-26(6-2)21-15-18(17-10-8-7-9-11-17)23-22(25-21)24-19-14-16(3)12-13-20(19)27-4/h7-15H,5-6H2,1-4H3,(H,23,24,25).
What are the key properties of 4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine?
4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 362.48 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112937674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).