4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine

C21H24N4O — CID 112928845

IUPAC4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1cc(C)nc(N(CC)c2ccccc2)n1
InChIInChI=1S/C21H24N4O/c1-4-25(17-11-7-6-8-12-17)21-22-16(3)15-20(24-21)23-18-13-9-10-14-19(18)26-5-2/h6-15H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyKXIGIKDOZXKEQP-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.09
Rot. Bonds7

About 4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine

4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112928845) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112928845
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1cc(C)nc(N(CC)c2ccccc2)n1
InChIInChI=1S/C21H24N4O/c1-4-25(17-11-7-6-8-12-17)21-22-16(3)15-20(24-21)23-18-13-9-10-14-19(18)26-5-2/h6-15H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyKXIGIKDOZXKEQP-UHFFFAOYSA-N
XLogP5.09
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336367
2-N-(2-ethoxyphenyl)-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928782
4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112904861
2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112927331
2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927072
3-N-benzyl-5-N-(2-ethoxyphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112967482
2-N-tert-butyl-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924802
4-N-(2-ethoxyphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907340
N-(2-ethoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910272
4-N-(2-ethoxyphenyl)-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927430
1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112928857

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine (CID 112928845) is 4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine is CCOc1ccccc1Nc1cc(C)nc(N(CC)c2ccccc2)n1.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is KXIGIKDOZXKEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-4-25(17-11-7-6-8-12-17)21-22-16(3)15-20(24-21)23-18-13-9-10-14-19(18)26-5-2/h6-15H,4-5H2,1-3H3,(H,22,23,24).
What are the key properties of 4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 348.45 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112928845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).