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

C21H24N4O — CID 112930483

IUPAC2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1nc(C)cc(Nc2ccccc2OC)n1
InChIInChI=1S/C21H24N4O/c1-5-25(17-10-8-9-15(2)13-17)21-22-16(3)14-20(24-21)23-18-11-6-7-12-19(18)26-4/h6-14H,5H2,1-4H3,(H,22,23,24)
InChIKeyMSAYIDBVDZMCCQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.00
Rot. Bonds6

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

2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112930483) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112930483
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1nc(C)cc(Nc2ccccc2OC)n1
InChIInChI=1S/C21H24N4O/c1-5-25(17-10-8-9-15(2)13-17)21-22-16(3)14-20(24-21)23-18-11-6-7-12-19(18)26-4/h6-14H,5H2,1-4H3,(H,22,23,24)
InChIKeyMSAYIDBVDZMCCQ-UHFFFAOYSA-N
XLogP5.00
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112931154
2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927072
4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112928845
4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112904861
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
2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112927331
2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112917326
2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937733
4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928779
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112922741
2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 55080697

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 112930483) is 2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is CCN(c1cccc(C)c1)c1nc(C)cc(Nc2ccccc2OC)n1.
What is the InChIKey of 2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is MSAYIDBVDZMCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-5-25(17-10-8-9-15(2)13-17)21-22-16(3)14-20(24-21)23-18-11-6-7-12-19(18)26-4/h6-14H,5H2,1-4H3,(H,22,23,24).
What are the key properties of 2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 348.45 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112930483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).