5-bromo-N-cyclopropylpyrimidin-4-amine

C7H8BrN3 — CID 66341876

IUPAC5-bromo-N-cyclopropylpyrimidin-4-amine
SMILESBrc1cncnc1NC1CC1
InChIInChI=1S/C7H8BrN3/c8-6-3-9-4-10-7(6)11-5-1-2-5/h3-5H,1-2H2,(H,9,10,11)
InChIKeyFAEGCQNNWDBRHT-UHFFFAOYSA-N
MW214.07 g/mol
LogP1.81
Rot. Bonds2

About 5-bromo-N-cyclopropylpyrimidin-4-amine

5-bromo-N-cyclopropylpyrimidin-4-amine (PubChem CID 66341876) has the molecular formula C7H8BrN3 and a molecular weight of 214.07 g/mol. Its IUPAC name is 5-bromo-N-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropylpyrimidin-4-amine
PubChem CID66341876
Molecular FormulaC7H8BrN3
Molecular Weight214.07 g/mol
Exact Mass212.99
IUPAC Name5-bromo-N-cyclopropylpyrimidin-4-amine
SMILESBrc1cncnc1NC1CC1
InChIInChI=1S/C7H8BrN3/c8-6-3-9-4-10-7(6)11-5-1-2-5/h3-5H,1-2H2,(H,9,10,11)
InChIKeyFAEGCQNNWDBRHT-UHFFFAOYSA-N
XLogP1.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-cyclopropylpyrimidin-4-amine (CID 66341876) is 5-bromo-N-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-cyclopropylpyrimidin-4-amine is Brc1cncnc1NC1CC1.
What is the InChIKey of 5-bromo-N-cyclopropylpyrimidin-4-amine?
The InChIKey is FAEGCQNNWDBRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3/c8-6-3-9-4-10-7(6)11-5-1-2-5/h3-5H,1-2H2,(H,9,10,11).
What are the key properties of 5-bromo-N-cyclopropylpyrimidin-4-amine?
5-bromo-N-cyclopropylpyrimidin-4-amine has a molecular weight of 214.07 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 66341876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).