4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine

C15H19BrN4 — CID 80760427

IUPAC4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(Nc2cccc(Br)c2)c1CC
InChIInChI=1S/C15H19BrN4/c1-3-8-17-14-13(4-2)15(19-10-18-14)20-12-7-5-6-11(16)9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyLPYPPEJDUWKKMI-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.37
Rot. Bonds6

About 4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine

4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80760427) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80760427
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(Nc2cccc(Br)c2)c1CC
InChIInChI=1S/C15H19BrN4/c1-3-8-17-14-13(4-2)15(19-10-18-14)20-12-7-5-6-11(16)9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyLPYPPEJDUWKKMI-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-bromophenyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80737681
4-N-(3-bromo-5-methylphenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107580901
N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 63735452
6-[(3-bromophenyl)methoxy]-5-ethyl-N-propylpyrimidin-4-amine
CID 82808541
5-ethyl-4-N-(3-fluoro-5-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80834573
4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544393
4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80738325
5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755419
4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80760533
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80754890
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine (CID 80760427) is 4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(Nc2cccc(Br)c2)c1CC.
What is the InChIKey of 4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is LPYPPEJDUWKKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-3-8-17-14-13(4-2)15(19-10-18-14)20-12-7-5-6-11(16)9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 335.25 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80760427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).