5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine

C16H13BrN4 — CID 104609431

IUPAC5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccccc2)ncc1-c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN4/c17-12-8-6-11(7-9-12)14-10-19-16(21-15(14)18)20-13-4-2-1-3-5-13/h1-10H,(H3,18,19,20,21)
InChIKeyJZKMQRUDZLSDMF-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.23
Rot. Bonds3

About 5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine

5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 104609431) has the molecular formula C16H13BrN4 and a molecular weight of 341.21 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine
PubChem CID104609431
Molecular FormulaC16H13BrN4
Molecular Weight341.21 g/mol
Exact Mass340.03
IUPAC Name5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccccc2)ncc1-c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN4/c17-12-8-6-11(7-9-12)14-10-19-16(21-15(14)18)20-13-4-2-1-3-5-13/h1-10H,(H3,18,19,20,21)
InChIKeyJZKMQRUDZLSDMF-UHFFFAOYSA-N
XLogP4.23
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-methyl-2-N-phenylpyrimidine-2,4,5-triamine
CID 175235509
4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine
CID 70485810
5-(3-amino-4-anilinophenyl)pyrimidine-2,4-diamine
CID 150510240
6-fluoro-2-N-phenylpyrido[2,3-d]pyrimidine-2,7-diamine
CID 141037386
3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol
CID 150426927
5-(4-bromophenyl)-2-N,2-N-diethylpyrimidine-2,4-diamine
CID 55132577
5-bromo-3-N-phenylpyrazine-2,3-diamine
CID 139077006
5-bromo-2-N-phenylpyrazine-2,3-diamine
CID 91037057
4-bromobenzenethiol;3-N-phenylquinoxaline-2,3-diamine
CID 145495804
1-bromo-4-phenylbenzene;methane;4-phenylaniline;4-phenyl-N-(4-phenylphenyl)aniline
CID 157224558
2-N-(4-phenylphenyl)pyrimidine-2,4-diamine
CID 71531843
5-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 62900567

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine (CID 104609431) is 5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine is Nc1nc(Nc2ccccc2)ncc1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is JZKMQRUDZLSDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4/c17-12-8-6-11(7-9-12)14-10-19-16(21-15(14)18)20-13-4-2-1-3-5-13/h1-10H,(H3,18,19,20,21).
What are the key properties of 5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine?
5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 341.21 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 104609431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).