4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine

C16H13BrFN5 — CID 19148779

IUPAC4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(Br)cc1
InChIInChI=1S/C16H13BrFN5/c17-10-1-5-12(6-2-10)22-15-14(19)16(21-9-20-15)23-13-7-3-11(18)4-8-13/h1-9H,19H2,(H2,20,21,22,23)
InChIKeyGIJQYHCEDBPCER-UHFFFAOYSA-N
MW374.22 g/mol
LogP4.45
Rot. Bonds4

About 4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine

4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 19148779) has the molecular formula C16H13BrFN5 and a molecular weight of 374.22 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
PubChem CID19148779
Molecular FormulaC16H13BrFN5
Molecular Weight374.22 g/mol
Exact Mass373.03
IUPAC Name4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(Br)cc1
InChIInChI=1S/C16H13BrFN5/c17-10-1-5-12(6-2-10)22-15-14(19)16(21-9-20-15)23-13-7-3-11(18)4-8-13/h1-9H,19H2,(H2,20,21,22,23)
InChIKeyGIJQYHCEDBPCER-UHFFFAOYSA-N
XLogP4.45
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148988
6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544983
4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19149058
6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546240
4-N-(2-chlorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19147903
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
N-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875100
6-N-(4-bromophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547057
6-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148458
4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19149079
6-(azepan-1-yl)-4-N-(4-bromophenyl)pyrimidine-4,5-diamine
CID 19137871
4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 19137506

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine (CID 19148779) is 4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine is Nc1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(Br)cc1.
What is the InChIKey of 4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is GIJQYHCEDBPCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN5/c17-10-1-5-12(6-2-10)22-15-14(19)16(21-9-20-15)23-13-7-3-11(18)4-8-13/h1-9H,19H2,(H2,20,21,22,23).
What are the key properties of 4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine?
4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine has a molecular weight of 374.22 g/mol, XLogP of 4.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19148779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).