4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine

C21H24N4O — CID 22539446

IUPAC4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
SMILESCCc1ccc(Oc2ncnc(N(CC)c3cccc(C)c3)c2N)cc1
InChIInChI=1S/C21H24N4O/c1-4-16-9-11-18(12-10-16)26-21-19(22)20(23-14-24-21)25(5-2)17-8-6-7-15(3)13-17/h6-14H,4-5,22H2,1-3H3
InChIKeyUGBNBHNCFLSYHB-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.88
Rot. Bonds6

About 4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine

4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine (PubChem CID 22539446) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
PubChem CID22539446
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
SMILESCCc1ccc(Oc2ncnc(N(CC)c3cccc(C)c3)c2N)cc1
InChIInChI=1S/C21H24N4O/c1-4-16-9-11-18(12-10-16)26-21-19(22)20(23-14-24-21)25(5-2)17-8-6-7-15(3)13-17/h6-14H,4-5,22H2,1-3H3
InChIKeyUGBNBHNCFLSYHB-UHFFFAOYSA-N
XLogP4.88
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 22539877
4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539248
4-N,6-N,6-N-triethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539276
N-ethyl-6-(4-methoxyphenoxy)-N-(3-methylphenyl)-5-nitropyrimidin-4-amine
CID 23477877
6-N-benzyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539273
4-N-benzyl-6-(4-ethylphenoxy)-4-N-methylpyrimidine-4,5-diamine
CID 22539683
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539339
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539266
4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22539280
4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22539284
4-N-ethyl-6-imidazol-1-yl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539459

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine (CID 22539446) is 4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine is CCc1ccc(Oc2ncnc(N(CC)c3cccc(C)c3)c2N)cc1.
What is the InChIKey of 4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
The InChIKey is UGBNBHNCFLSYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-4-16-9-11-18(12-10-16)26-21-19(22)20(23-14-24-21)25(5-2)17-8-6-7-15(3)13-17/h6-14H,4-5,22H2,1-3H3.
What are the key properties of 4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine?
4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine has a molecular weight of 348.45 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-(4-ethylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22539446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).