4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine

C14H16BrFN4 — CID 80759951

IUPAC4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1Nc1ccc(Br)cc1F
InChIInChI=1S/C14H16BrFN4/c1-3-4-10-13(17-2)18-8-19-14(10)20-12-6-5-9(15)7-11(12)16/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyWELRXMLUXZMDCM-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.12
Rot. Bonds5

About 4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine

4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80759951) has the molecular formula C14H16BrFN4 and a molecular weight of 339.21 g/mol. Its IUPAC name is 4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID80759951
Molecular FormulaC14H16BrFN4
Molecular Weight339.21 g/mol
Exact Mass338.05
IUPAC Name4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1Nc1ccc(Br)cc1F
InChIInChI=1S/C14H16BrFN4/c1-3-4-10-13(17-2)18-8-19-14(10)20-12-6-5-9(15)7-11(12)16/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyWELRXMLUXZMDCM-UHFFFAOYSA-N
XLogP4.12
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80779766
4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80761074
6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
CID 63727953
4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80762442
4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 82803367
N-(5-bromo-2-iodophenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 114261134
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955
4-N-(5-bromo-2-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80804931
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80902077
4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80773429
4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80748963

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (CID 80759951) is 4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1Nc1ccc(Br)cc1F.
What is the InChIKey of 4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is WELRXMLUXZMDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN4/c1-3-4-10-13(17-2)18-8-19-14(10)20-12-6-5-9(15)7-11(12)16/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 339.21 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80759951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).