4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine

C18H17BrN4 — CID 112902995

IUPAC4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1nccc(Nc2ccccc2Br)n1
InChIInChI=1S/C18H17BrN4/c1-2-23(14-8-4-3-5-9-14)18-20-13-12-17(22-18)21-16-11-7-6-10-15(16)19/h3-13H,2H2,1H3,(H,20,21,22)
InChIKeyUOWBASNKSBARPI-UHFFFAOYSA-N
MW369.27 g/mol
LogP5.14
Rot. Bonds5

About 4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine

4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112902995) has the molecular formula C18H17BrN4 and a molecular weight of 369.27 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112902995
Molecular FormulaC18H17BrN4
Molecular Weight369.27 g/mol
Exact Mass368.06
IUPAC Name4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1nccc(Nc2ccccc2Br)n1
InChIInChI=1S/C18H17BrN4/c1-2-23(14-8-4-3-5-9-14)18-20-13-12-17(22-18)21-16-11-7-6-10-15(16)19/h3-13H,2H2,1H3,(H,20,21,22)
InChIKeyUOWBASNKSBARPI-UHFFFAOYSA-N
XLogP5.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.27
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(N-ethylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112903013
2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902939
4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112904861
2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901822
2-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112895391
4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112928845
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902163
4-[[4-(2-bromoanilino)pyrimidin-2-yl]amino]benzoic acid
CID 56587964
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315810
4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886323
2-(2-bromoanilino)-N,N-dipropylpyridine-4-carboxamide
CID 109175871
2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109295026

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine (CID 112902995) is 4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine is CCN(c1ccccc1)c1nccc(Nc2ccccc2Br)n1.
What is the InChIKey of 4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is UOWBASNKSBARPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4/c1-2-23(14-8-4-3-5-9-14)18-20-13-12-17(22-18)21-16-11-7-6-10-15(16)19/h3-13H,2H2,1H3,(H,20,21,22).
What are the key properties of 4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine?
4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 369.27 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112902995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).