5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine

C15H19BrN4O2 — CID 160698295

IUPAC5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine
SMILESBrc1ccc(C2CC2)nc1.CCOC=O.Nc1cncnc1
InChIInChI=1S/C8H8BrN.C4H5N3.C3H6O2/c9-7-3-4-8(10-5-7)6-1-2-6;5-4-1-6-3-7-2-4;1-2-5-3-4/h3-6H,1-2H2;1-3H,5H2;3H,2H2,1H3
InChIKeyRQGWUECGEALLLH-UHFFFAOYSA-N
MW367.25 g/mol
LogP2.96
Rot. Bonds3

About 5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine

5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine (PubChem CID 160698295) has the molecular formula C15H19BrN4O2 and a molecular weight of 367.25 g/mol. Its IUPAC name is 5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine.

Molecular Properties

Compound Name5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine
PubChem CID160698295
Molecular FormulaC15H19BrN4O2
Molecular Weight367.25 g/mol
Exact Mass366.07
IUPAC Name5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine
SMILESBrc1ccc(C2CC2)nc1.CCOC=O.Nc1cncnc1
InChIInChI=1S/C8H8BrN.C4H5N3.C3H6O2/c9-7-3-4-8(10-5-7)6-1-2-6;5-4-1-6-3-7-2-4;1-2-5-3-4/h3-6H,1-2H2;1-3H,5H2;3H,2H2,1H3
InChIKeyRQGWUECGEALLLH-UHFFFAOYSA-N
XLogP2.96
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-cyclopropylpyridine;ethyl formate;pyridin-3-amine
CID 158130502
6-cyclopropylpyridin-3-amine;propanoic acid
CID 174674900
6-cyclopropylpyridine-3-carbaldehyde
CID 45083600
3-(5-bromo-2-pyridinyl)cyclobutan-1-one
CID 146082553
6-cyclopropylpyridin-3-amine;hydrochloride
CID 118705214
5-bromo-2-(thian-4-yl)pyridine
CID 155970460
1-(5-bromopyrimidin-2-yl)cyclohexan-1-ol;ethyl formate
CID 174824588
bicyclo[2.2.2]octane;ethyl formate
CID 174816311
6-cyclopentylpyridine-3-carbaldehyde
CID 83816590
4-cyclopropyl-1,2-difluorobenzene;ethyl formate
CID 145194546
5-bromo-2-(oxetan-2-yl)pyridine
CID 158241460
cyclopropanol;ethyl formate
CID 157277391

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine?
The IUPAC name of 5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine (CID 160698295) is 5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine.
What is the SMILES notation for 5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine?
The canonical SMILES for 5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine is Brc1ccc(C2CC2)nc1.CCOC=O.Nc1cncnc1.
What is the InChIKey of 5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine?
The InChIKey is RQGWUECGEALLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN.C4H5N3.C3H6O2/c9-7-3-4-8(10-5-7)6-1-2-6;5-4-1-6-3-7-2-4;1-2-5-3-4/h3-6H,1-2H2;1-3H,5H2;3H,2H2,1H3.
What are the key properties of 5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine?
5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine has a molecular weight of 367.25 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine is sourced from PubChem (CID 160698295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).