5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine

C14H16BrFN4 — CID 80818351

IUPAC5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(N(CC)c2ccc(F)cc2)n1
InChIInChI=1S/C14H16BrFN4/c1-3-17-14-18-9-12(15)13(19-14)20(4-2)11-7-5-10(16)6-8-11/h5-9H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyUWPWCWRSPBYXJZ-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.97
Rot. Bonds5

About 5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine

5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 80818351) has the molecular formula C14H16BrFN4 and a molecular weight of 339.21 g/mol. Its IUPAC name is 5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID80818351
Molecular FormulaC14H16BrFN4
Molecular Weight339.21 g/mol
Exact Mass338.05
IUPAC Name5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(N(CC)c2ccc(F)cc2)n1
InChIInChI=1S/C14H16BrFN4/c1-3-17-14-18-9-12(15)13(19-14)20(4-2)11-7-5-10(16)6-8-11/h5-9H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyUWPWCWRSPBYXJZ-UHFFFAOYSA-N
XLogP3.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80908616
5-chloro-2-N,4-N-diethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80817817
5-bromo-2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762209
5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80775626
5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80776693
5-bromo-4-N-cycloheptyl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80789656
5-bromo-2-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80847667
5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80774882
5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
CID 107871827
5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80757604
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
CID 80805068
2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817690

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine (CID 80818351) is 5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine is CCNc1ncc(Br)c(N(CC)c2ccc(F)cc2)n1.
What is the InChIKey of 5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is UWPWCWRSPBYXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN4/c1-3-17-14-18-9-12(15)13(19-14)20(4-2)11-7-5-10(16)6-8-11/h5-9H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine?
5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 339.21 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N,4-N-diethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80818351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).