6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine

C8H11BrFN3 — CID 126976268

IUPAC6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine
SMILESCCc1nc(Br)cc(NCCF)n1
InChIInChI=1S/C8H11BrFN3/c1-2-7-12-6(9)5-8(13-7)11-4-3-10/h5H,2-4H2,1H3,(H,11,12,13)
InChIKeyZVZXHCFVBDGJMP-UHFFFAOYSA-N
MW248.10 g/mol
LogP2.18
Rot. Bonds4

About 6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine

6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine (PubChem CID 126976268) has the molecular formula C8H11BrFN3 and a molecular weight of 248.10 g/mol. Its IUPAC name is 6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine
PubChem CID126976268
Molecular FormulaC8H11BrFN3
Molecular Weight248.10 g/mol
Exact Mass247.01
IUPAC Name6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine
SMILESCCc1nc(Br)cc(NCCF)n1
InChIInChI=1S/C8H11BrFN3/c1-2-7-12-6(9)5-8(13-7)11-4-3-10/h5H,2-4H2,1H3,(H,11,12,13)
InChIKeyZVZXHCFVBDGJMP-UHFFFAOYSA-N
XLogP2.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
CID 114156436
6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907356
6-bromo-2-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 114186756
4-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149277
6-bromo-2-ethyl-N-[(1-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 114095094
6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106405420
6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414820
6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine
CID 114701517
6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106192890
3-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114177404
6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 104963516
2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935134

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine (CID 126976268) is 6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine is CCc1nc(Br)cc(NCCF)n1.
What is the InChIKey of 6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine?
The InChIKey is ZVZXHCFVBDGJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrFN3/c1-2-7-12-6(9)5-8(13-7)11-4-3-10/h5H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine?
6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine has a molecular weight of 248.10 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 126976268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).