5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine

C14H15BrFN3 — CID 66299647

IUPAC5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(F)c2)nc(CC)c1Br
InChIInChI=1S/C14H15BrFN3/c1-3-11-12(15)14(17-4-2)19-13(18-11)9-6-5-7-10(16)8-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyGPDZPJBMPLATRR-UHFFFAOYSA-N
MW324.20 g/mol
LogP4.04
Rot. Bonds4

About 5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine

5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine (PubChem CID 66299647) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine
PubChem CID66299647
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(F)c2)nc(CC)c1Br
InChIInChI=1S/C14H15BrFN3/c1-3-11-12(15)14(17-4-2)19-13(18-11)9-6-5-7-10(16)8-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyGPDZPJBMPLATRR-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine
CID 66299451
5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine
CID 66300037
5-bromo-N,6-diethyl-2-phenylpyrimidin-4-amine
CID 66301217
5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 66299648
5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 66298662
5-bromo-2-(3,5-dimethylphenyl)-N,6-diethylpyrimidin-4-amine
CID 66295796
2-(3-bromophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63560398
5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66307154
5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66298851
5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66299061
5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine
CID 66297721
2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine
CID 66306993

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine (CID 66299647) is 5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine is CCNc1nc(-c2cccc(F)c2)nc(CC)c1Br.
What is the InChIKey of 5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine?
The InChIKey is GPDZPJBMPLATRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-3-11-12(15)14(17-4-2)19-13(18-11)9-6-5-7-10(16)8-9/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine?
5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine has a molecular weight of 324.20 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 66299647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).