6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine

C14H15BrFN3 — CID 79742436

IUPAC6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2cc(Br)ccc2F)c1C
InChIInChI=1S/C14H15BrFN3/c1-3-6-17-14-9(2)13(18-8-19-14)11-7-10(15)4-5-12(11)16/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyFRFRTPCIQCSPBA-UHFFFAOYSA-N
MW324.20 g/mol
LogP4.18
Rot. Bonds4

About 6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine

6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 79742436) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID79742436
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2cc(Br)ccc2F)c1C
InChIInChI=1S/C14H15BrFN3/c1-3-6-17-14-9(2)13(18-8-19-14)11-7-10(15)4-5-12(11)16/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyFRFRTPCIQCSPBA-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-bromo-2-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80759265
4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80825088
3-(5-bromo-2-fluorophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine
CID 79742894
4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 82802010
5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812191
5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 102709055
5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 79742623
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667
6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80878423
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80803504
N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 115503017
6-(5-bromo-2-fluorophenyl)-N-methyl-5-nitropyrimidin-4-amine
CID 79742438

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine (CID 79742436) is 6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(-c2cc(Br)ccc2F)c1C.
What is the InChIKey of 6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is FRFRTPCIQCSPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-3-6-17-14-9(2)13(18-8-19-14)11-7-10(15)4-5-12(11)16/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine?
6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 324.20 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79742436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).