5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine

C12H18BrN3O — CID 103745895

IUPAC5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine
SMILESCOc1nc(N2CCCC2C(C)C)ncc1Br
InChIInChI=1S/C12H18BrN3O/c1-8(2)10-5-4-6-16(10)12-14-7-9(13)11(15-12)17-3/h7-8,10H,4-6H2,1-3H3
InChIKeyZSDAOUYGRLPHAT-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.87
Rot. Bonds3

About 5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine

5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine (PubChem CID 103745895) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine
PubChem CID103745895
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine
SMILESCOc1nc(N2CCCC2C(C)C)ncc1Br
InChIInChI=1S/C12H18BrN3O/c1-8(2)10-5-4-6-16(10)12-14-7-9(13)11(15-12)17-3/h7-8,10H,4-6H2,1-3H3
InChIKeyZSDAOUYGRLPHAT-UHFFFAOYSA-N
XLogP2.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine (CID 103745895) is 5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine is COc1nc(N2CCCC2C(C)C)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine?
The InChIKey is ZSDAOUYGRLPHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8(2)10-5-4-6-16(10)12-14-7-9(13)11(15-12)17-3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine?
5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine has a molecular weight of 300.20 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-2-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 103745895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).