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

C12H19BrN4O — CID 103726644

IUPAC5-bromo-4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCOc1nc(N2CCN(C(C)C)CC2)ncc1Br
InChIInChI=1S/C12H19BrN4O/c1-9(2)16-4-6-17(7-5-16)12-14-8-10(13)11(15-12)18-3/h8-9H,4-7H2,1-3H3
InChIKeyUNOWAKYKOXUOJC-UHFFFAOYSA-N
MW315.22 g/mol
LogP1.78
Rot. Bonds3

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

5-bromo-4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 103726644) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
PubChem CID103726644
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name5-bromo-4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCOc1nc(N2CCN(C(C)C)CC2)ncc1Br
InChIInChI=1S/C12H19BrN4O/c1-9(2)16-4-6-17(7-5-16)12-14-8-10(13)11(15-12)18-3/h8-9H,4-7H2,1-3H3
InChIKeyUNOWAKYKOXUOJC-UHFFFAOYSA-N
XLogP1.78
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine (CID 103726644) is 5-bromo-4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine is COc1nc(N2CCN(C(C)C)CC2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is UNOWAKYKOXUOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-9(2)16-4-6-17(7-5-16)12-14-8-10(13)11(15-12)18-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-bromo-4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
5-bromo-4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 315.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 103726644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).