4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine

C15H19BrN4 — CID 80794152

IUPAC4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCc2ccccc2Br)nc(C)n1
InChIInChI=1S/C15H19BrN4/c1-3-8-17-14-9-15(20-11(2)19-14)18-10-12-6-4-5-7-13(12)16/h4-7,9H,3,8,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyZUSRIJHHTDEPQF-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.98
Rot. Bonds6

About 4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80794152) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80794152
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCc2ccccc2Br)nc(C)n1
InChIInChI=1S/C15H19BrN4/c1-3-8-17-14-9-15(20-11(2)19-14)18-10-12-6-4-5-7-13(12)16/h4-7,9H,3,8,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyZUSRIJHHTDEPQF-UHFFFAOYSA-N
XLogP3.98
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80898933
4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 107638809
2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80777163
2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114765939
[6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide
CID 115266748
6-N-ethyl-2-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80790221
4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 112867244
2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80822100
N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115751708
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787489
2-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80831369
6-hydrazinyl-2-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80898136

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80794152) is 4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCc2ccccc2Br)nc(C)n1.
What is the InChIKey of 4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is ZUSRIJHHTDEPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-3-8-17-14-9-15(20-11(2)19-14)18-10-12-6-4-5-7-13(12)16/h4-7,9H,3,8,10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 335.25 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80794152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).