4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine

C18H18N4O2 — CID 19149235

IUPAC4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
SMILESCCOc1ccc(Nc2ncnc(Oc3ccccc3)c2N)cc1
InChIInChI=1S/C18H18N4O2/c1-2-23-14-10-8-13(9-11-14)22-17-16(19)18(21-12-20-17)24-15-6-4-3-5-7-15/h3-12H,2,19H2,1H3,(H,20,21,22)
InChIKeyNUDBXRXANPKWFK-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.99
Rot. Bonds6

About 4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine

4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine (PubChem CID 19149235) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
PubChem CID19149235
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
SMILESCCOc1ccc(Nc2ncnc(Oc3ccccc3)c2N)cc1
InChIInChI=1S/C18H18N4O2/c1-2-23-14-10-8-13(9-11-14)22-17-16(19)18(21-12-20-17)24-15-6-4-3-5-7-15/h3-12H,2,19H2,1H3,(H,20,21,22)
InChIKeyNUDBXRXANPKWFK-UHFFFAOYSA-N
XLogP3.99
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-butoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19143062
6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19152592
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233
6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 19147718
4-[(5-amino-6-phenoxypyrimidin-4-yl)amino]benzoic acid
CID 19152597
4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148675
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912
4-[[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19149280
4-N,4-N-diethyl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19136861
4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19154145
4-N-(2-ethoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 19152653

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine (CID 19149235) is 4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine is CCOc1ccc(Nc2ncnc(Oc3ccccc3)c2N)cc1.
What is the InChIKey of 4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine?
The InChIKey is NUDBXRXANPKWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-23-14-10-8-13(9-11-14)22-17-16(19)18(21-12-20-17)24-15-6-4-3-5-7-15/h3-12H,2,19H2,1H3,(H,20,21,22).
What are the key properties of 4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine?
4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine has a molecular weight of 322.37 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine is sourced from PubChem (CID 19149235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).