2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine

C19H20BrN5O2 — CID 70991175

IUPAC2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine
SMILESCCOc1ccc(Nc2nc(Nc3cccc(Br)c3)ncc2N)cc1OC
InChIInChI=1S/C19H20BrN5O2/c1-3-27-16-8-7-14(10-17(16)26-2)23-18-15(21)11-22-19(25-18)24-13-6-4-5-12(20)9-13/h4-11H,3,21H2,1-2H3,(H2,22,23,24,25)
InChIKeyPPHNNZHNABRDRQ-UHFFFAOYSA-N
MW430.31 g/mol
LogP4.72
Rot. Bonds7

About 2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine

2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine (PubChem CID 70991175) has the molecular formula C19H20BrN5O2 and a molecular weight of 430.31 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine
PubChem CID70991175
Molecular FormulaC19H20BrN5O2
Molecular Weight430.31 g/mol
Exact Mass429.08
IUPAC Name2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine
SMILESCCOc1ccc(Nc2nc(Nc3cccc(Br)c3)ncc2N)cc1OC
InChIInChI=1S/C19H20BrN5O2/c1-3-27-16-8-7-14(10-17(16)26-2)23-18-15(21)11-22-19(25-18)24-13-6-4-5-12(20)9-13/h4-11H,3,21H2,1-2H3,(H2,22,23,24,25)
InChIKeyPPHNNZHNABRDRQ-UHFFFAOYSA-N
XLogP4.72
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,4-N-bis(3-amino-4-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine
CID 22060532
2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536406
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-fluoro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 139565423
3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine
CID 79530694
2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80760425
5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761231
5-bromo-2-N-(3,4-dimethoxyphenyl)-4-N-[2-(methylsulfanylamino)phenyl]pyrimidine-2,4-diamine
CID 143861926
4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine
CID 80769404
N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80920092
N-[(3-bromophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 43729850
2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 63669948
4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine
CID 79917337

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine?
The IUPAC name of 2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine (CID 70991175) is 2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine?
The canonical SMILES for 2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine is CCOc1ccc(Nc2nc(Nc3cccc(Br)c3)ncc2N)cc1OC.
What is the InChIKey of 2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine?
The InChIKey is PPHNNZHNABRDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5O2/c1-3-27-16-8-7-14(10-17(16)26-2)23-18-15(21)11-22-19(25-18)24-13-6-4-5-12(20)9-13/h4-11H,3,21H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine?
2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine has a molecular weight of 430.31 g/mol, XLogP of 4.72, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine is sourced from PubChem (CID 70991175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).