4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine

C18H17FN4O — CID 112903465

IUPAC4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2ccnc(Nc3ccccc3F)n2)cc1
InChIInChI=1S/C18H17FN4O/c1-2-24-14-9-7-13(8-10-14)21-17-11-12-20-18(23-17)22-16-6-4-3-5-15(16)19/h3-12H,2H2,1H3,(H2,20,21,22,23)
InChIKeyLEDXFBJSQVVDNE-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.50
Rot. Bonds6

About 4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine

4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 112903465) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID112903465
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2ccnc(Nc3ccccc3F)n2)cc1
InChIInChI=1S/C18H17FN4O/c1-2-24-14-9-7-13(8-10-14)21-17-11-12-20-18(23-17)22-16-6-4-3-5-15(16)19/h3-12H,2H2,1H3,(H2,20,21,22,23)
InChIKeyLEDXFBJSQVVDNE-UHFFFAOYSA-N
XLogP4.50
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904866
4-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904936
2-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904932
2-N-(2-ethoxyphenyl)-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112902830
2-N-(2-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892448
ethyl 2-[[4-(4-fluoroanilino)pyrimidin-2-yl]amino]benzoate
CID 112903532
4-[[2-(2-ethoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193845
2-N-(2-propan-2-yloxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905145
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904349
2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112903553
4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902126
4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886293

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine (CID 112903465) is 4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine is CCOc1ccc(Nc2ccnc(Nc3ccccc3F)n2)cc1.
What is the InChIKey of 4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is LEDXFBJSQVVDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-2-24-14-9-7-13(8-10-14)21-17-11-12-20-18(23-17)22-16-6-4-3-5-15(16)19/h3-12H,2H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine?
4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 324.36 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112903465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).