5-bromo-6-phenyl-N-propylpyrimidin-4-amine

C13H14BrN3 — CID 66294940

IUPAC5-bromo-6-phenyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2ccccc2)c1Br
InChIInChI=1S/C13H14BrN3/c1-2-8-15-13-11(14)12(16-9-17-13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,16,17)
InChIKeyXCAVCZLYHPGYJM-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.73
Rot. Bonds4

About 5-bromo-6-phenyl-N-propylpyrimidin-4-amine

5-bromo-6-phenyl-N-propylpyrimidin-4-amine (PubChem CID 66294940) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 5-bromo-6-phenyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-phenyl-N-propylpyrimidin-4-amine
PubChem CID66294940
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name5-bromo-6-phenyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2ccccc2)c1Br
InChIInChI=1S/C13H14BrN3/c1-2-8-15-13-11(14)12(16-9-17-13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,16,17)
InChIKeyXCAVCZLYHPGYJM-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine
CID 66294937
5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine
CID 66292295
5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300318
5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 114072281
5-bromo-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072014
3-[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280482
5-bromo-4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072758
5-bromo-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine
CID 114072493
5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114071957
5-bromo-4-N-(2-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072744
6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine
CID 106646745
5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 106411995

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-phenyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-phenyl-N-propylpyrimidin-4-amine (CID 66294940) is 5-bromo-6-phenyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-phenyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-phenyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-6-phenyl-N-propylpyrimidin-4-amine?
The InChIKey is XCAVCZLYHPGYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-2-8-15-13-11(14)12(16-9-17-13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-6-phenyl-N-propylpyrimidin-4-amine?
5-bromo-6-phenyl-N-propylpyrimidin-4-amine has a molecular weight of 292.18 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-phenyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66294940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).