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

C18H17BrN4 — CID 112902939

IUPAC2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1ccnc(Nc2ccccc2Br)n1
InChIInChI=1S/C18H17BrN4/c1-2-23(14-8-4-3-5-9-14)17-12-13-20-18(22-17)21-16-11-7-6-10-15(16)19/h3-13H,2H2,1H3,(H,20,21,22)
InChIKeyKHAKOIRAQKCRRZ-UHFFFAOYSA-N
MW369.27 g/mol
LogP5.14
Rot. Bonds5

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

2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112902939) has the molecular formula C18H17BrN4 and a molecular weight of 369.27 g/mol. Its IUPAC name is 2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112902939
Molecular FormulaC18H17BrN4
Molecular Weight369.27 g/mol
Exact Mass368.06
IUPAC Name2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1ccnc(Nc2ccccc2Br)n1
InChIInChI=1S/C18H17BrN4/c1-2-23(14-8-4-3-5-9-14)17-12-13-20-18(22-17)21-16-11-7-6-10-15(16)19/h3-13H,2H2,1H3,(H,20,21,22)
InChIKeyKHAKOIRAQKCRRZ-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

Analyze 2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112902915
2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902908
methyl 2-[[4-(N-ethylanilino)pyrimidin-2-yl]amino]benzoate
CID 112902927
4-N-(2-bromophenyl)-2-N-ethyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902995
4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112902949
2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112902549
4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112903480
4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112889343
2-N-(2-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902024
methyl 3-[[4-(N-ethylanilino)pyrimidin-2-yl]amino]benzoate
CID 112902928
4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112928811
N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884584

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine (CID 112902939) is 2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine is CCN(c1ccccc1)c1ccnc(Nc2ccccc2Br)n1.
What is the InChIKey of 2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is KHAKOIRAQKCRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4/c1-2-23(14-8-4-3-5-9-14)17-12-13-20-18(22-17)21-16-11-7-6-10-15(16)19/h3-13H,2H2,1H3,(H,20,21,22).
What are the key properties of 2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine?
2-N-(2-bromophenyl)-4-N-ethyl-4-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 2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112902939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).