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

C17H24N4O — CID 112875694

IUPAC4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2cc(C)ccc2OC)nc(C)n1
InChIInChI=1S/C17H24N4O/c1-6-21(7-2)17-11-16(18-13(4)19-17)20-14-10-12(3)8-9-15(14)22-5/h8-11H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyULXZDIHVHQEIRS-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.69
Rot. Bonds6

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

4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112875694) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112875694
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2cc(C)ccc2OC)nc(C)n1
InChIInChI=1S/C17H24N4O/c1-6-21(7-2)17-11-16(18-13(4)19-17)20-14-10-12(3)8-9-15(14)22-5/h8-11H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyULXZDIHVHQEIRS-UHFFFAOYSA-N
XLogP3.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-4-N-ethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112873175
6-N-(2,4-dimethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875657
6-N-(3-chloro-4-methoxyphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875685
4-N-(2-methoxy-5-methylphenyl)-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112877102
6-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877582
N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847072
4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872974
4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937674
6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875723
6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine
CID 80763447
2-[[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878544
2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114765717

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine (CID 112875694) is 4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine is CCN(CC)c1cc(Nc2cc(C)ccc2OC)nc(C)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is ULXZDIHVHQEIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-6-21(7-2)17-11-16(18-13(4)19-17)20-14-10-12(3)8-9-15(14)22-5/h8-11H,6-7H2,1-5H3,(H,18,19,20).
What are the key properties of 4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine?
4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 300.41 g/mol, XLogP of 3.69, 6 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-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112875694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).