4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

C21H24N4O — CID 112904861

IUPAC4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1ccnc(N(CC)c2cccc(C)c2)n1
InChIInChI=1S/C21H24N4O/c1-4-25(17-10-8-9-16(3)15-17)21-22-14-13-20(24-21)23-18-11-6-7-12-19(18)26-5-2/h6-15H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyWOLDFIYBYGTDRR-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.09
Rot. Bonds7

About 4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112904861) 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-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112904861
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1ccnc(N(CC)c2cccc(C)c2)n1
InChIInChI=1S/C21H24N4O/c1-4-25(17-10-8-9-16(3)15-17)21-22-14-13-20(24-21)23-18-11-6-7-12-19(18)26-5-2/h6-15H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyWOLDFIYBYGTDRR-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

4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112928845
2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112930483
3-N-(2-ethoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967560
2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112902522
2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112905566
2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109317817
2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927072
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902995
2-N-(1,1-dioxothiolan-3-yl)-4-N-(2-ethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 112896213
2-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317989
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541695

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 112904861) is 4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is CCOc1ccccc1Nc1ccnc(N(CC)c2cccc(C)c2)n1.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is WOLDFIYBYGTDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-4-25(17-10-8-9-16(3)15-17)21-22-14-13-20(24-21)23-18-11-6-7-12-19(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-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-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-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112904861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).