4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine

C12H15BrN6 — CID 19135431

IUPAC4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine
SMILESCCCNc1ncnc(Nc2ccc(Br)cn2)c1N
InChIInChI=1S/C12H15BrN6/c1-2-5-15-11-10(14)12(18-7-17-11)19-9-4-3-8(13)6-16-9/h3-4,6-7H,2,5,14H2,1H3,(H2,15,16,17,18,19)
InChIKeyMZUNOGWAXZEQFO-UHFFFAOYSA-N
MW323.20 g/mol
LogP2.78
Rot. Bonds5

About 4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine

4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine (PubChem CID 19135431) has the molecular formula C12H15BrN6 and a molecular weight of 323.20 g/mol. Its IUPAC name is 4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine
PubChem CID19135431
Molecular FormulaC12H15BrN6
Molecular Weight323.20 g/mol
Exact Mass322.05
IUPAC Name4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine
SMILESCCCNc1ncnc(Nc2ccc(Br)cn2)c1N
InChIInChI=1S/C12H15BrN6/c1-2-5-15-11-10(14)12(18-7-17-11)19-9-4-3-8(13)6-16-9/h3-4,6-7H,2,5,14H2,1H3,(H2,15,16,17,18,19)
InChIKeyMZUNOGWAXZEQFO-UHFFFAOYSA-N
XLogP2.78
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine 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-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19137129
6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
CID 19136762
4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 19143888
4-N-(5-chloro-2-pyridinyl)-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 19142392
6-N-(5-bromo-2-pyridinyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19144598
4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143153
6-N-(5-bromo-2-pyridinyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135818
6-N-(5-bromo-2-pyridinyl)-4-N-cycloheptylpyrimidine-4,5,6-triamine
CID 19147282
1-[4-[[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 19147207
N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670
4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5,6-triamine
CID 19146453
5-bromo-N-(5-bromo-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165422

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine (CID 19135431) is 4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine is CCCNc1ncnc(Nc2ccc(Br)cn2)c1N.
What is the InChIKey of 4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine?
The InChIKey is MZUNOGWAXZEQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN6/c1-2-5-15-11-10(14)12(18-7-17-11)19-9-4-3-8(13)6-16-9/h3-4,6-7H,2,5,14H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine?
4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine has a molecular weight of 323.20 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19135431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).