6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine

C19H21N5O2 — CID 22543912

IUPAC6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCCOc1ccc(Nc2ncnc(Nc3cccc(OC)c3)c2N)cc1
InChIInChI=1S/C19H21N5O2/c1-3-26-15-9-7-13(8-10-15)23-18-17(20)19(22-12-21-18)24-14-5-4-6-16(11-14)25-2/h4-12H,3,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyZAXYKRPPXIZZSO-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.95
Rot. Bonds7

About 6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine

6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22543912) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID22543912
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCCOc1ccc(Nc2ncnc(Nc3cccc(OC)c3)c2N)cc1
InChIInChI=1S/C19H21N5O2/c1-3-26-15-9-7-13(8-10-15)23-18-17(20)19(22-12-21-18)24-14-5-4-6-16(11-14)25-2/h4-12H,3,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyZAXYKRPPXIZZSO-UHFFFAOYSA-N
XLogP3.95
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676
6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 11694491
methyl 4-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 22543914
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-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 22543827
4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19149235
6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543956
6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22543892
4-N-(3-ethoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80808104
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149250
4-N-(2,5-difluorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543980

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine (CID 22543912) is 6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine is CCOc1ccc(Nc2ncnc(Nc3cccc(OC)c3)c2N)cc1.
What is the InChIKey of 6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is ZAXYKRPPXIZZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-26-15-9-7-13(8-10-15)23-18-17(20)19(22-12-21-18)24-14-5-4-6-16(11-14)25-2/h4-12H,3,20H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine?
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 351.41 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22543912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).