4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine

C18H19N5O — CID 19147676

IUPAC4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
SMILESCCOc1ccc(Nc2ncnc(Nc3ccccc3)c2N)cc1
InChIInChI=1S/C18H19N5O/c1-2-24-15-10-8-14(9-11-15)23-18-16(19)17(20-12-21-18)22-13-6-4-3-5-7-13/h3-12H,2,19H2,1H3,(H2,20,21,22,23)
InChIKeyDXHZQDXQZJGVRX-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.94
Rot. Bonds6

About 4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine

4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine (PubChem CID 19147676) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
PubChem CID19147676
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
SMILESCCOc1ccc(Nc2ncnc(Nc3ccccc3)c2N)cc1
InChIInChI=1S/C18H19N5O/c1-2-24-15-10-8-14(9-11-15)23-18-16(19)17(20-12-21-18)22-13-6-4-3-5-7-13/h3-12H,2,19H2,1H3,(H2,20,21,22,23)
InChIKeyDXHZQDXQZJGVRX-UHFFFAOYSA-N
XLogP3.94
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19149235
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233
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-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149265
6-(4-benzylpiperazin-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19139295
6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149292
N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 16875676
4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144334
4-N-(4-butoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19143062
4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149262

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine (CID 19147676) is 4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine is CCOc1ccc(Nc2ncnc(Nc3ccccc3)c2N)cc1.
What is the InChIKey of 4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine?
The InChIKey is DXHZQDXQZJGVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-24-15-10-8-14(9-11-15)23-18-16(19)17(20-12-21-18)22-13-6-4-3-5-7-13/h3-12H,2,19H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine?
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine has a molecular weight of 321.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19147676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).