5-bromo-N-ethylpyrimidin-2-amine

C6H8BrN3 — CID 46739544

IUPAC5-bromo-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Br)cn1
InChIInChI=1S/C6H8BrN3/c1-2-8-6-9-3-5(7)4-10-6/h3-4H,2H2,1H3,(H,8,9,10)
InChIKeyZTUFIYOWZJZHCU-UHFFFAOYSA-N
MW202.06 g/mol
LogP1.67
Rot. Bonds2

About 5-bromo-N-ethylpyrimidin-2-amine

5-bromo-N-ethylpyrimidin-2-amine (PubChem CID 46739544) has the molecular formula C6H8BrN3 and a molecular weight of 202.06 g/mol. Its IUPAC name is 5-bromo-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethylpyrimidin-2-amine
PubChem CID46739544
Molecular FormulaC6H8BrN3
Molecular Weight202.06 g/mol
Exact Mass200.99
IUPAC Name5-bromo-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Br)cn1
InChIInChI=1S/C6H8BrN3/c1-2-8-6-9-3-5(7)4-10-6/h3-4H,2H2,1H3,(H,8,9,10)
InChIKeyZTUFIYOWZJZHCU-UHFFFAOYSA-N
XLogP1.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Methylethyl)-2-pyrimidinamine
CID 71169
5-Bromopyrimidine
CID 78344
N-methylpyrimidin-2-amine
CID 265776
2-Amino-5-bromopyrimidine
CID 231310
5-Bromopyrimidine-2-carbonitrile
CID 686546
2-Amino-5-iodopyrimidine
CID 241102
4-Amino-5-bromopyrimidine
CID 10261576
5-Bromo-2-chloropyrimidine
CID 606665
5-Bromo-2-(methylsulfanyl)pyrimidine
CID 4738564
N-allyl-N-(2-pyrimidinyl)amine
CID 3281441
N-ethylpyrimidin-2-amine
CID 12692691
N-propylpyrimidin-2-amine
CID 21642342

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-ethylpyrimidin-2-amine (CID 46739544) is 5-bromo-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-ethylpyrimidin-2-amine is CCNc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-ethylpyrimidin-2-amine?
The InChIKey is ZTUFIYOWZJZHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3/c1-2-8-6-9-3-5(7)4-10-6/h3-4H,2H2,1H3,(H,8,9,10).
What are the key properties of 5-bromo-N-ethylpyrimidin-2-amine?
5-bromo-N-ethylpyrimidin-2-amine has a molecular weight of 202.06 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 46739544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).