6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine

C15H12BrClN6 — CID 19152998

IUPAC6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc(Br)c2)ncnc1Nc1cccnc1Cl
InChIInChI=1S/C15H12BrClN6/c16-9-3-1-4-10(7-9)22-14-12(18)15(21-8-20-14)23-11-5-2-6-19-13(11)17/h1-8H,18H2,(H2,20,21,22,23)
InChIKeyVSXKQXXARYQPES-UHFFFAOYSA-N
MW391.66 g/mol
LogP4.36
Rot. Bonds4

About 6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine

6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine (PubChem CID 19152998) has the molecular formula C15H12BrClN6 and a molecular weight of 391.66 g/mol. Its IUPAC name is 6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine
PubChem CID19152998
Molecular FormulaC15H12BrClN6
Molecular Weight391.66 g/mol
Exact Mass390.00
IUPAC Name6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc(Br)c2)ncnc1Nc1cccnc1Cl
InChIInChI=1S/C15H12BrClN6/c16-9-3-1-4-10(7-9)22-14-12(18)15(21-8-20-14)23-11-5-2-6-19-13(11)17/h1-8H,18H2,(H2,20,21,22,23)
InChIKeyVSXKQXXARYQPES-UHFFFAOYSA-N
XLogP4.36
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.66
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]amino]benzoate
CID 19153439
4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19149079
6-N-(3-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19152959
4-N-(2-chloro-3-pyridinyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134754
4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19150563
4-N-(3-bromophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148508
4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544393
6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144751
4-N-(3-bromophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139169
6-N-(3-bromophenyl)-4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5,6-triamine
CID 19153003
6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146835
N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 63735452

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine (CID 19152998) is 6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine is Nc1c(Nc2cccc(Br)c2)ncnc1Nc1cccnc1Cl.
What is the InChIKey of 6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine?
The InChIKey is VSXKQXXARYQPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN6/c16-9-3-1-4-10(7-9)22-14-12(18)15(21-8-20-14)23-11-5-2-6-19-13(11)17/h1-8H,18H2,(H2,20,21,22,23).
What are the key properties of 6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine?
6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine has a molecular weight of 391.66 g/mol, XLogP of 4.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19152998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).