2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine

C22H26N4O2 — CID 112919058

IUPAC2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1nc(C)cc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C22H26N4O2/c1-5-26(15-17-9-7-6-8-10-17)22-23-16(2)13-21(25-22)24-19-12-11-18(27-3)14-20(19)28-4/h6-14H,5,15H2,1-4H3,(H,23,24,25)
InChIKeyADBYHCYYGXCRNR-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.57
Rot. Bonds8

About 2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine

2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 112919058) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
PubChem CID112919058
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1nc(C)cc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C22H26N4O2/c1-5-26(15-17-9-7-6-8-10-17)22-23-16(2)13-21(25-22)24-19-12-11-18(27-3)14-20(19)28-4/h6-14H,5,15H2,1-4H3,(H,23,24,25)
InChIKeyADBYHCYYGXCRNR-UHFFFAOYSA-N
XLogP4.57
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918947
5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112964441
2-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109258498
4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876906
4-N-benzyl-4-N-ethyl-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918940
4-N-benzyl-4-N-ethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112873175
4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112931154
N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide
CID 109171538
2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937733
2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928681
4-N-(2-chlorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924240
4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112928987

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine (CID 112919058) is 2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine is CCN(Cc1ccccc1)c1nc(C)cc(Nc2ccc(OC)cc2OC)n1.
What is the InChIKey of 2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is ADBYHCYYGXCRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-5-26(15-17-9-7-6-8-10-17)22-23-16(2)13-21(25-22)24-19-12-11-18(27-3)14-20(19)28-4/h6-14H,5,15H2,1-4H3,(H,23,24,25).
What are the key properties of 2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 378.48 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112919058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).