5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine

C9H11BrClN3O — CID 103536606

IUPAC5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine
SMILESCOC1CCN(c2nc(Cl)ncc2Br)C1
InChIInChI=1S/C9H11BrClN3O/c1-15-6-2-3-14(5-6)8-7(10)4-12-9(11)13-8/h4,6H,2-3,5H2,1H3
InChIKeyPZYUEHKHXCDIST-UHFFFAOYSA-N
MW292.56 g/mol
LogP2.12
Rot. Bonds2

About 5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine

5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine (PubChem CID 103536606) has the molecular formula C9H11BrClN3O and a molecular weight of 292.56 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine
PubChem CID103536606
Molecular FormulaC9H11BrClN3O
Molecular Weight292.56 g/mol
Exact Mass290.98
IUPAC Name5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine
SMILESCOC1CCN(c2nc(Cl)ncc2Br)C1
InChIInChI=1S/C9H11BrClN3O/c1-15-6-2-3-14(5-6)8-7(10)4-12-9(11)13-8/h4,6H,2-3,5H2,1H3
InChIKeyPZYUEHKHXCDIST-UHFFFAOYSA-N
XLogP2.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine (CID 103536606) is 5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine is COC1CCN(c2nc(Cl)ncc2Br)C1.
What is the InChIKey of 5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine?
The InChIKey is PZYUEHKHXCDIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3O/c1-15-6-2-3-14(5-6)8-7(10)4-12-9(11)13-8/h4,6H,2-3,5H2,1H3.
What are the key properties of 5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine?
5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine has a molecular weight of 292.56 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 103536606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).