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

C22H26N4O2 — CID 112918947

IUPAC4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1cc(C)nc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C22H26N4O2/c1-5-26(15-17-9-7-6-8-10-17)21-13-16(2)23-22(25-21)24-19-12-11-18(27-3)14-20(19)28-4/h6-14H,5,15H2,1-4H3,(H,23,24,25)
InChIKeyXVKCTMMLPQSNPO-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.57
Rot. Bonds8

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

4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine (PubChem CID 112918947) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
PubChem CID112918947
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1cc(C)nc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C22H26N4O2/c1-5-26(15-17-9-7-6-8-10-17)21-13-16(2)23-22(25-21)24-19-12-11-18(27-3)14-20(19)28-4/h6-14H,5,15H2,1-4H3,(H,23,24,25)
InChIKeyXVKCTMMLPQSNPO-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-4-N-ethyl-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918940
4-N-benzyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918971
2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112919058
4-N-benzyl-4-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112918908
4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892967
4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754573
4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928779
2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109332388
4-N-benzyl-2-N-(3-chloro-4-methylphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918933
4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915931
2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928681
4-N-benzyl-2-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918934

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine (CID 112918947) is 4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine is CCN(Cc1ccccc1)c1cc(C)nc(Nc2ccc(OC)cc2OC)n1.
What is the InChIKey of 4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is XVKCTMMLPQSNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-5-26(15-17-9-7-6-8-10-17)21-13-16(2)23-22(25-21)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 4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-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 4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112918947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).