4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

C22H26N4O2 — CID 112931154

IUPAC4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1nc(C)cc(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C22H26N4O2/c1-6-26(17-9-7-8-15(2)12-17)22-23-16(3)13-21(25-22)24-19-14-18(27-4)10-11-20(19)28-5/h7-14H,6H2,1-5H3,(H,23,24,25)
InChIKeyOAYSOGPDSCXIOM-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.01
Rot. Bonds7

About 4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112931154) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112931154
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1nc(C)cc(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C22H26N4O2/c1-6-26(17-9-7-8-15(2)12-17)22-23-16(3)13-21(25-22)24-19-14-18(27-4)10-11-20(19)28-5/h7-14H,6H2,1-5H3,(H,23,24,25)
InChIKeyOAYSOGPDSCXIOM-UHFFFAOYSA-N
XLogP5.01
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112930483
2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927072
2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112905325
2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112932348
2-N-ethyl-6-methyl-2-N-(3-methylphenyl)-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907876
N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109359227
4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112928845
2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112919058
4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930724
4-N-(2,5-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928330
4-(aminomethyl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541694
2-N-(2,6-difluorophenyl)-4-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112931156

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 112931154) is 4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is CCN(c1cccc(C)c1)c1nc(C)cc(Nc2cc(OC)ccc2OC)n1.
What is the InChIKey of 4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is OAYSOGPDSCXIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-6-26(17-9-7-8-15(2)12-17)22-23-16(3)13-21(25-22)24-19-14-18(27-4)10-11-20(19)28-5/h7-14H,6H2,1-5H3,(H,23,24,25).
What are the key properties of 4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 378.48 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112931154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).